(Q103815859)

English

(E,6S)-6-[(3R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

lanostane triterpenoid

1 reference

inferred from

lanostane triterpenoid

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C)C

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isomeric SMILES

C/C(=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)[C@H](O)CC[C@]4(C)C3CC[C@@]12C)C(=O)O

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found in taxon

Amphipterygium adstringens

1 reference

stated in

Isolation of the new anacardic acid 6-[16'Z-nonadecenyl]-salicylic acid and evaluation of its antimicrobial activity against Streptococcus mutans and Porphyromonas gingivalis.

Identifiers

InChI

InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10-11,19,21-22,24-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,22?,24?,25+,28+,29-,30+/m0/s1

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InChIKey

UILQHUKSFUOOLH-YOOZGKBQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UILQHUKSFUOOLH-YOOZGKBQSA-N

(Q103815859)

(E,6S)-6-[(3R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

Statements

Identifiers

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