(Q104393775)

English

[(1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[(2R,3R,5S,6S,8R,13R,17S)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

1 reference

1 reference

659.330561388 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2R,3R,4S,5S,6S,8R,9R,10R,13R,14R,16R,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₉NO₁₁

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canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)CC2(OC(=O)C)C4C(OC)C5C6(COC)CN(CC)C4C35C(OC)CC6O)C7=CC=C(OC)C=C7

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isomeric SMILES

CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1

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found in taxon

Aconitum hemsleyanum

3 references

stated in

High-performance liquid chromatographic analysis of C19-diterpenoid alkaloids

stated in

Diterpenoid Alkaloids from Aconitum crassicaule

stated in

Hemsleyatine, a Novel C19-Diterpenoid Alkaloid with 8-Amino Group from Aconitum hemsleyanum.

Aconitum forrestii

3 references

stated in

Liwaconitine, a New Diterpenoid Alkaloid from Aconitum forrestii

stated in

The Structures of Forestine and Foresticine, Two New C19-Diterpenoid Alkaloids from Aconitum forrestii Stapf

stated in

Chemical constituents of Aconitum tanguticum

Aconitum legendrei

1 reference

stated in

Alkaloids of Aconitum ferox

Aconitum dolichorhynchum

1 reference

stated in

Five New Diterpenoids from Aconitum dolichorhynchum

Aconitum vilmorinianum

2 references

stated in

A diterpenoid alkaloid from Aconitum vilmorinianum var. patentipilum

stated in

A New C19-Diterpenoid Alkaloid fromAconitum vilmorinianum

Aconitum sungpanense

1 reference

stated in

Diterpenoid Alkaloids of Aconitum sungpanase

Aconitum balfourii

1 reference

stated in

Norditerpenoid Alkaloids from the Aerial Parts of Aconitum balfourii Stapf

Aconitum falconeri

1 reference

stated in

SEPARATION OF DITERPENOID ALKALOIDS BY HIGH PERFORMANCE CENTRIFUGAL PARTITION CHROMATOGRAPHY

Aconitum geniculatum

2 references

stated in

Diterpene alkaloids from Aconitum kirinense

stated in

New norditerpenoid alkaloids from Aconitum septentrionale

Aconitum transsectum

1 reference

stated in

Norditerpenoid alkaloids from Aconitum transsectum

Aconitum lethale

2 references

stated in

SEPARATION OF DITERPENOID ALKALOIDS BY HIGH PERFORMANCE CENTRIFUGAL PARTITION CHROMATOGRAPHY

stated in

Norditerpenoid Alkaloids from the Aerial Parts of Aconitum balfourii Stapf

Aconitum henryi

1 reference

stated in

Diterpenoid Alkaloids of Aconitum sungpanase

Identifiers

InChI

InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33-,34-,35+/m1/s1

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InChIKey

LLEMSCWAKNQHHA-KIXTXXQVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LLEMSCWAKNQHHA-KIXTXXQVSA-N

1 reference

(Q104393775)

[(1S,2R,3R,4R,5R,6S,8R,9R,10R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,14-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

Statements

Identifiers

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