Scymnol

CAS Registry Number®

6785-34-8

CAS Name

Scymnol

Molecular Formula

C27H48O6

Molecular Mass

468.67

Cite 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 2024-11-25) (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

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Deleted or Replaced CAS Registry Numbers

124989-37-3, 48228-67-7

CAS INSIGHTSTM
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