(Q105384625)

English

[17-(5,6-Dimethylhept-3-en-2-yl)-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] octadecanoate

group of stereoisomers with the chemical formula C₄₆H₈₀O₄

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Statements

group of stereoisomers

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ergostane steroid

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ergostane steroid

697.1267 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₈₀O₄

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canonical SMILES

O=C(OC1C=C2C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2C4(C)CCC(O)CC14O)CCCCCCCCCCCCCCCCC

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Identifiers

InChI=1S/C46H80O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-43(48)50-42-32-38-40-27-26-39(36(5)25-24-35(4)34(2)3)44(40,6)30-29-41(38)45(7)31-28-37(47)33-46(42,45)49/h24-25,32,34-37,39-42,47,49H,8-23,26-31,33H2,1-7H3

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ZVTIKCVGXAUMGY-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

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