(Q104916840)

English

10-Hydroxy-9-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

group of stereoisomers with the chemical formula C₃₉H₅₄O₆

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instance of

group of stereoisomers

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1 reference

618.8439 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₄O₆

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canonical SMILES

O=C(OC1C(O)CC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C(=O)O)CCC43C)C1(C)C)C=CC6=CC=C(O)C=C6

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Identifiers

InChI

InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)

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InChIKey

AQHKWALTXQHZKK-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104916840)

10-Hydroxy-9-[3-(4-hydroxyphenyl)prop-2-enoyloxy]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

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