(Q105259630)

English

[3a,8-Bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₉H₅₆O₆

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instance of

group of stereoisomers

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1 reference

1 reference

620.407689512 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₅₆O₆

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(CO)CCC43C)C1(C)CO)C=CC6=CC=C(O)C(O)=C6

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Identifiers

InChI

InChI=1S/C39H56O6/c1-24(2)26-13-18-39(23-41)20-19-37(5)27(34(26)39)9-11-31-35(3)16-15-32(36(4,22-40)30(35)14-17-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-8,10,12,21,26-27,30-32,34,40-43H,1,9,11,13-20,22-23H2,2-6H3

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InChIKey

SSEGSBMQGFCSBY-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105259630)

[3a,8-Bis(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

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