Nombre del analito

Clerosterol (Mixture of Diasteromers)

Número CAS

62776-91-4

Fórmula molecular

C29 H48 O

Peso molecular

412.691

Masa exacta

412.371

SMILES

CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=C)C

InChI

InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20-21,23-27,30H,2,7-9,11-18H2,1,3-6H3/t20-,21?,23+,24+,25-,26+,27+,28+,29-/m1/s1

IUPAC

(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

País de origen

CANADA

Formato del producto

Neat