Nombre del analito

1-Oxaspiro[2.5]octane-9,10-secocholesta-7,10(19)-dien-3-ol

Número CAS

89231-92-5

Fórmula molecular

C27H44O2

Peso molecular

400.65

Masa exacta

400.33

SMILES

C=C(CC[C@@H](C1)O)[C@]1(O2)[C@H]2/C=C3[C@@]4([H])[C@@]([C@@](CC4)([H])[C@H](C)CCCC(C)C)(CCC/3)C

InChI

InChI=1S/C27H44O2/c1-18(2)8-6-9-19(3)23-13-14-24-21(10-7-15-26(23,24)5)16-25-27(29-25)17-22(28)12-11-20(27)4/h16,18-19,22-25,28H,4,6-15,17H2,1-3,5H3/b21-16+/t19-,22+,23-,24+,25-,26-,27+/m1/s1

IUPAC

(2R,3S,5S)-2-(((1R,3aS,7aR,E)-7a-Methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)methyl)-8-methylene-1-oxaspiro[2.5]octan-5-ol

País de origen

CANADA

Formato del producto

Neat