CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

CAS: 3464-60-6

Name: cholesta-1,4,6-trien-3-one

IUPAC: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=O)C=CC34C)C

Summenformel: C27H40O

Molare Masse: 380.60

InChIKey: NIJCHQWGAFQPFT-GYKMGIIDSA-N

InChI:

InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,13,15,17-19,22-25H,6-8,11-12,14,16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

PubChem CID: 107390 →

Synonyme

1,4,6-cholestatrien-3-oneRefChem:125668Cholesta-1,4,6-trien-3-one3464-60-6(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-oneEINECS 222-416-31,4,6-cholestatrien-3 one1,4,6-cholesta-trien-3-oneCHEMBL262935SCHEMBL3037085DTXSID60956135NS00050136

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→