Scymnol
CAS Registry Number®
6785-34-8
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CAS Name
ScymnolMolecular Formula
C27H48O6Molecular Mass
468.67Cite this Page
Scymnol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6785-34-8 (retrieved ) (CAS RN: 6785-34-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
187 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey
InChIKey=DIPHJTHZUWDJIK-JPLAUYQNSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CC[C@H](C(CO)CO)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
OCC(CO)C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholestane-3,7,12,24,26,27-hexol, (3α,5β,7α,12α,24R)-
- Scymnol
- 5β-Cholestane-3α,7α,12α,24,26,27-hexol
- (3α,5β,7α,12α,24R)-Cholestane-3,7,12,24,26,27-hexol
- (24R)-Scymnol
Deleted or Replaced CAS Registry Numbers
124989-37-3, 48228-67-7
