(Q104253794)

English

(8S,9R,10S,13R,14S)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

group of stereoisomers with the chemical formula C₃₀H₄₄O₇

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Statements

instance of

group of stereoisomers

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subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

516.308703748 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₄O₇

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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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isomeric SMILES

CC(C)(O)C=CC(=O)[C@](C)(O)C1C(O)C[C@@]2(C)[C@@H]3CC=C4[C@H](CC(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

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Identifiers

InChI

InChI=1S/C30H44O7/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/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/t17-,18?,19?,20-,23?,27-,28+,29-,30-/m0/s1

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InChIKey

SRPHMISUTWFFKJ-JLFJWOTQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRPHMISUTWFFKJ-JLFJWOTQSA-N

(Q104253794)

(8S,9R,10S,13R,14S)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione

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Identifiers

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