Sodium scymnol sulfate
CAS Registry Number®
119068-78-9
CAS Name
Sodium scymnol sulfateMolecular Formula
C27H48O9S.NaCite 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 ) (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