(Q105003490)

English

(1S,2R,6R,10R,13S,15S)-5-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

group of stereoisomers with the chemical formula C₂₈H₄₂O₃

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Statements

group of stereoisomers

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ergostane steroid

1 reference

ergostane steroid

426.313395204 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₃

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canonical SMILES

OC1CCC2(C3=CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=CC(C)C(C)C)C)C

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isomeric SMILES

CC(C)[C@H](C)/C=C/[C@@H](C)C1CC[C@H]2[C@@]34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)OO4

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Identifiers

InChI=1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22?,23-,25-,26-,27-,28+/m1/s1

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FWPYIYVSYQRISA-WWJBFRCVSA-N

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1 reference

2 January 2023

based on heuristic

inferred from InChIKey

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