(Q104915654)

English

17-(2,6-Dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

group of stereoisomers with the chemical formula C₃₀H₄₆O₇

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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

518.3243538119998 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₇

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canonical SMILES

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

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Identifiers

InChI

InChI=1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3

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InChIKey

AOHIGMQGPFTKQX-UHFFFAOYSA-N

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CAS Registry Number

25383-23-7

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

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1 reference

matched by identifier from

InChIKey

AOHIGMQGPFTKQX-UHFFFAOYSA-N

(Q104915654)

17-(2,6-Dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

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