(Q105005503)

English

[(3S,5R,8R,9R,10R,13R,14S,17R)-17-[(1R)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[17-[1-(3-Hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

467.303558792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,5S,8S,9S,10R,13S,14S,17R)-17-[(1R)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₉H₄₁NO₄

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canonical SMILES

O=C(OC1CCC2(C)C(C(=O)CC3C4CCC(C(C5=NC=C(C=C5O)C)C)C4(C)CCC32)C1)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C[C@@H]1[C@@H]3CC[C@H]([C@@H](C)c4ncc(C)cc4O)[C@]3(C)CC[C@H]12

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found in taxon

Veratrum lobelianum

1 reference

stated in

Alkaloids ofVeratrum lobelianum verdinine and 3,15-DI-O-(2-methylbutyroyl)germine

Identifiers

InChI

InChI=1S/C29H41NO4/c1-16-12-26(33)27(30-15-16)17(2)21-6-7-22-20-14-25(32)24-13-19(34-18(3)31)8-10-29(24,5)23(20)9-11-28(21,22)4/h12,15,17,19-24,33H,6-11,13-14H2,1-5H3/t17-,19+,20-,21-,22+,23-,24+,28+,29-/m1/s1

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InChIKey

GANKTJHOGMIBAJ-MBFWLXSQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GANKTJHOGMIBAJ-MBFWLXSQSA-N

(Q105005503)

[(3S,5R,8R,9R,10R,13R,14S,17R)-17-[(1R)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate

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