(Q105154016)

English

6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-1-yl}hept-3-en-2-yl acetate

group of stereoisomers with the chemical formula C₃₂H₄₈O₈

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instance of

group of stereoisomers

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subclass of

cucurbitane triterpenoid

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inferred from

cucurbitane triterpenoid

mass

560.7199 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₈

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canonical SMILES

O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C

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Identifiers

InChI

InChI=1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25-26,34-35,38-39H,11,14-16H2,1-9H3

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InChIKey

LMJMTWXDWFWZHV-UHFFFAOYSA-N

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CAS Registry Number

25383-25-9

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

inferred from InChIKey

matched by identifier from

InChIKey

LMJMTWXDWFWZHV-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

LMJMTWXDWFWZHV-UHFFFAOYSA-N

(Q105154016)

6-hydroxy-2-methyl-5-oxo-6-{2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1H,2H,3H,3bH,4H,7H,8H,9H,9aH,11H-cyclopenta[a]phenanthren-1-yl}hept-3-en-2-yl acetate

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Identifiers

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