(Q105205767)

English

(2R,5S,7R,9S,10S,15R,16R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-1(11)-ene-5,10-diol

group of stereoisomers with the chemical formula C₂₈H₄₄O₃

In more languages

Statements

group of stereoisomers

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ergostane steroid

1 reference

ergostane steroid

428.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₄O₃

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canonical SMILES

OC1C2=C(CCC3(C)C2CCC3C(C=CC(C)C(C)C)C)C4(C)CCC(O)CC54OC15

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isomeric SMILES

CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O

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Biemna ehrenbergi

1 reference

Ehrenasterol and biemnic acid; new bioactive compounds from the Red Sea sponge Biemna ehrenbergi

Identifiers

InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21?,24-,25-,26+,27+,28-/m0/s1

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PCIZFQVDNDHRPP-FTARVDCESA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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