← Back

Nombre: acetate

IUPAC: 2-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]acetate

SMILES: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C3=CC=C4C[C@](O)(CC(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C

Canonical SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)(CC(=O)[O-])O)C)C

Fórmula molecular: C29H45O4-

Masa molecular: 457.70

InChIKey: SNUHDKMRIOZLLG-MTHPCETOSA-M

InChI: InChI=1S/C29H46O4/c1-19(7-6-13-26(2,3)32)22-10-11-23-21-9-8-20-17-29(33,18-25(30)31)16-15-27(20,4)24(21)12-14-28(22,23)5/h8-9,19,22-24,32-33H,6-7,10-18H2,1-5H3,(H,30,31)/p-1/t19-,22-,23+,24+,27+,28-,29+/m1/s1

PubChem CID: 86749778 →

Sinónimos

SNUHDKMRIOZLLG-MTHPCETOSA-M3beta,25-Dihydroxycholesta-5,7-diene-3-acetate

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→