Sodium scymnol sulfate

CAS Registry Number®

119068-78-9

CAS Name

Sodium scymnol sulfate

Molecular Formula

C27H48O9S.Na

Cite this Page

Sodium scymnol sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119068-78-9 (retrieved 2024-11-22) (CAS RN: 119068-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H48O9S.Na/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31;/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35);/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-;/m1./s1

InChIKey

InChIKey=ZGWOLHDKRPGYBG-XFEBKPBNSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CC[C@H]([C@H](COS(=O)(=O)O)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].[Na]

Canonical SMILES

[Na].O=S(=O)(O)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, 26-(hydrogen sulfate), sodium salt (1:1), (3α,5β,7α,12α,24R,25S)-
  • Cholestane-3,7,12,24,26,27-hexol, 26-(hydrogen sulfate), monosodium salt, (3α,5β,7α,12α,24R,25S)-
  • Scymnol 26-sulfate sodium salt
  • Sodium scymnol sulfate
  • (24R)-Scymnol 26-sulfate sodium salt

Deleted or Replaced CAS Registry Numbers

125072-66-4, 140851-09-8

CAS INSIGHTSTM
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