(Q104989393)

English

(3R)-3-[(3S,4S,5S,10S,13R,14S)-3-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-15-oxo-1,2,3,5,6,7,11,12-octahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3-Hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-15-oxo-1,2,3,5,6,7,11,12-octahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₅

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canonical SMILES

O=C(O)CC(C1=CC(=O)C2(C3=C(CCC12C)C4(C)CCC(O)C(C)(CO)C4CC3)C)C

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isomeric SMILES

C[C@H](CC(=O)O)C1=CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@](C)(CO)[C@H]1CC3

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found in taxon

Eucomis comosa

1 reference

stated in

Isolation and structure of eucosterol and 16beta-hydroxyeucosterol, two novel spirocyclic nortriterpenes, and of a new 24-nor-5alpha-chola-8, 16-diene-23-oic acid from bulbs of several Eucomis species

Eucomis punctata

1 reference

stated in

Isolation and structure of eucosterol and 16beta-hydroxyeucosterol, two novel spirocyclic nortriterpenes, and of a new 24-nor-5alpha-chola-8, 16-diene-23-oic acid from bulbs of several Eucomis species

Identifiers

InChI

InChI=1S/C26H38O5/c1-15(12-22(30)31)18-13-21(29)26(5)17-6-7-19-23(2,16(17)8-11-25(18,26)4)10-9-20(28)24(19,3)14-27/h13,15,19-20,27-28H,6-12,14H2,1-5H3,(H,30,31)/t15-,19+,20+,23-,24-,25-,26-/m1/s1

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InChIKey

DUSFGBGNTFZURA-YINQEZQWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104989393)

(3R)-3-[(3S,4S,5S,10S,13R,14S)-3-hydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-15-oxo-1,2,3,5,6,7,11,12-octahydrocyclopenta[a]phenanthren-17-yl]butanoic acid

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