(Q104202290)

English

2-(3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylhept-6-enoic acid

group of stereoisomers with the chemical formula C₃₃H₅₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

24-methyllanostane triterpenoid

1 reference

inferred from

24-methyllanostane triterpenoid

mass

528.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₂O₅

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CC(O)C(C(C(=O)O)CCC(C(=C)C)C)C4(C)CC3)C)C

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Identifiers

InChI

InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)

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InChIKey

ZCMJUAGNOJTZBJ-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZCMJUAGNOJTZBJ-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0031962

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZCMJUAGNOJTZBJ-UHFFFAOYSA-N

(Q104202290)

2-(3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-5,6-dimethylhept-6-enoic acid

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Identifiers

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