(Q104952583)

English

(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

chemical compound

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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,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

(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

mass

357.230393852 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(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

1 reference

based on heuristic

inferred from InChIKey

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

C=C1[C@H]2C[C@@]3([C@@H]1O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O

0 references

found in taxon

Aconitum baicalense

1 reference

stated in

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

Aconitum firmum

1 reference

stated in

The Diterpenoid Alkaloids from Aconitum napellus

Aconitum

1 reference

stated in

Aconitum-Alkaloide. XXV. Uber die Konstitution des Songorins. (2).

Aconitum leucostomum

1 reference

stated in

Diterpenoid Alkaloids fromAconitum leucostomum

Aconitum napellus

1 reference

stated in

Isolation of norditerpenoid alkaloids from flowers of aconitum lycoctonum

Aconitum soongoricum

1 reference

stated in

The pyrolysis of the aconitum alkaloids

Brachycaudus aconiti

1 reference

stated in

Diterpenoid Alkaloids from AphidsBrachycaudus aconitiandBrachycaudus napelliFeeding onAconitum napellus1

Brachycaudus napelli

1 reference

stated in

Diterpenoid Alkaloids from AphidsBrachycaudus aconitiandBrachycaudus napelliFeeding onAconitum napellus1

Aconitum turczaninowii

1 reference

stated in

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

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-VRVLKEOGSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

CBOSLVQFGANWTL-VRVLKEOGSA-N

1 reference

(Q104952583)

(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

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