(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol
CAS Registry Number®
58469-95-7
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CAS Name
(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentolMolecular Formula
C27H48O5Molecular Mass
452.67Cite this Page
(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=58469-95-7 (retrieved ) (CAS RN: 58469-95-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/m1/s1
InChIKey
InChIKey=NHPWQASMMFUHIZ-NXDIKTHASA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(C(C)(C)O)O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
OC1CCC2(C)C(C1)CC(O)C3C4CCC(C(C)CCC(O)C(O)(C)C)C4(C)C(O)CC32
Other Names for this Substance
- Cholestane-3,7,12,24,25-pentol, (3α,5β,7α,12α)-
- 5β-Cholestane-3α,7α,12α,24,25-pentol
- (3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol
- 3α,7α,12α,24,25-Pentahydroxycoprostane
