CAS Registry Number®
516-92-7
CAS Name
Epicoprostanol
Molecular Formula
C27H48O
Molecular Mass
388.67
Compound Properties
-
Melting Point (1)
110.5-111.5 °C
Source(s)
- (1) Ruzicka, L.; Helvetica Chimica Acta, (1934), 17, 1407-16, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
InChIKey=QYIXCDOBOSTCEI-KKFSNPNRSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Canonical SMILES
OC1CCC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1
Other Names for this Substance
- Cholestan-3-ol, (3α,5β)-
- 5β-Cholestan-3α-ol
- (3α,5β)-Cholestan-3-ol
- epi-Coprostanol
- epi-Coprosterol
- Epicoprostanol
- Epicoprosterol
- α-Coprostanol
- Epikoprosterin
- NSC 18182
- 5β-Epicholestanol
