(Q76756155)

English

(1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

chemical compound

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instance of

type of chemical entity

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1 reference

(1R,5S,7R,8R,9R,13R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

1 reference

based on heuristic

inferred from SMILES

(1R,2R,7R,8S,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

1 reference

based on heuristic

inferred from SMILES

(1R,2R,5R,7R,8R,9R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

1 reference

based on heuristic

inferred from SMILES

mass

357.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2S,5R,7R,8R,9R,10S,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2R,5R,7R,8S,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₁NO₃

0 references

canonical SMILES

O=C1CC2C3(CC1C(=C)C3O)C4CC5C6(C)CN(CC)C4C25C(O)CC6

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isomeric SMILES

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]56[C@H]4CC(=O)[C@H](C5)C(=C)[C@H]6O)O)C

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found in taxon

Aconitum kongboense

1 reference

stated in

Chemical constituents of the aerial parts of Aconitum kongboense

Aconitum septentrionale

2 references

stated in

GC-MS analysis of total diterpene alkaloids from roots of Aconitum septentrionale

stated in

Structure of the new alkaloid septenine

Aconitum karakolicum

5 references

stated in

Alkaloids ofAconitum saposhnikovii andA. karacolicum

stated in

Karasamine and 1-benzoylkarasamine — New alkaloids fromAconitum karakolicum

stated in

Studies on the Alkaloids from Aconitum karakolicum Rap.

stated in

Acetylnapelline — A new alkaloid from Aconitum karakolicum

stated in

Alkaloids ofAconitum karakolicum. Structure of acetylnapelline

Aconitum monticola

4 references

stated in

Deoxydelsoline and dihydromonticamine fromAconitum monticola

stated in

Alkaloids of Aconitum monticola

stated in

Alkaloids of Aconitum monticola structure of acomonine

stated in

Songorine N-oxide fromAconitum monticola

Aconitum

1 reference

stated in

Five new napelline-type diterpene alkaloids from Aconitum liangshanium.

Aconitum talassicum

1 reference

stated in

Diterpenoid alkaloids from Aconitum talassicum

Aconitum leucostomum

1 reference

stated in

Diterpenoid alkaloids from Aconitum talassicum

Aconitum nemorum

1 reference

stated in

1-epi-Deacetylaconitine, a New Norditerpenoid Alkaloid from Aconitum nemorum

Aconitum soongaricum

3 references

stated in

Structure and Antiarhythmic Activity of 12-Acetyl-12-epinapelline, a New Diterpenoid Alkaloid from Aconitum soongoricum

stated in

Extraction of the total alkaloids fromAconitum soongoricum tubers

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Diterpenoid alkaloids from Aconitum talassicum

Aconitum episcopale

1 reference

stated in

Diterpenoid alkaloids from aconitum episcopale

Aconitum firmum

1 reference

stated in

Alkaloids of Aconitum firmum and A. tokii

Aconitum ferox

1 reference

stated in

Alkaloids of the cultivated speciesAconitum paniculatum andA. ferox

Aconitum kusnezoffii

1 reference

stated in

Qualitative mass spectrometric analysis of the total diterpene bases from the roots ofAconitum kusnezoffi

Aconitum barbatum

2 references

stated in

Alkaloids of Some Mongolian Ranunculaceae Species: Detailed 1H- and 13C-NMR Studies of Denudatine and Lepenine

stated in

Alkaloids of Aconitum barbatum. Structure of bataconine

Aconitum baicalense

2 references

stated in

Alkaloids of three species of Aconitum growing in Mongolia

stated in

Alkaloid content ofAconitum czekanovskyi

Aconitum napellus

3 references

stated in

Isolation of diterpenoid alkaloids from herb and flowers of aconitum napellus ssp. vulgare and electrospray ion trap multiple MS study of these alkaloids

stated in

The Structure of Two New Diterpenoid Alkaloids from Aconitum napellus L. S. Str.

stated in

Alkaloids of the cultivated speciesAconitum anglicum andA. raddeanum

Aconitum lycoctonum

2 references

stated in

Structure of the new alkaloid septenine

stated in

GC-MS analysis of total diterpene alkaloids from roots of Aconitum septentrionale

Aconitum anglicum

1 reference

stated in

Alkaloids of the cultivated speciesAconitum anglicum andA. raddeanum

Aconitum turczaninowii

2 references

stated in

Alkaloids of three species of Aconitum growing in Mongolia

stated in

Alkaloid content ofAconitum czekanovskyi

Identifiers

InChI

InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1

0 references

InChIKey

CBOSLVQFGANWTL-DVPYZRQCSA-N

0 references

PubChem CID

71456946

1 reference

matched by identifier from

InChIKey

CBOSLVQFGANWTL-DVPYZRQCSA-N

ChEBI ID

228854

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

CBOSLVQFGANWTL-DVPYZRQCSA-N

Probes And Drugs ID

PD087949

0 references

(Q76756155)

(1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one

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