(Q115972514)

English

(2R)-2-[(2S,3R,5R,10S,13R,14R,17R)-2,3-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

24-methyllanostane triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

486.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₅₀O₄

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canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1CCC2(C3=C(CCC12C)C4(C)CC(O)C(O)C(C)(C)C4CC3)C

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isomeric SMILES

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

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found in taxon

Hexagonia apiaria

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stated in

Chemical Constituents from the Fruiting Bodies of Hexagonia apiaria and Their Anti-inflammatory Activity

Identifiers

InChI

InChI=1S/C31H50O4/c1-18(2)19(3)9-10-20(27(34)35)21-13-15-31(8)23-11-12-25-28(4,5)26(33)24(32)17-29(25,6)22(23)14-16-30(21,31)7/h18,20-21,24-26,32-33H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,21-,24+,25+,26+,29-,30-,31+/m1/s1

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InChIKey

ZGFCKZHTZDYEGX-HYPRSTRGSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ZGFCKZHTZDYEGX-HYPRSTRGSA-N

1 reference

(Q115972514)

(2R)-2-[(2S,3R,5R,10S,13R,14R,17R)-2,3-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

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Identifiers

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