Cholestane-7,12,24-triol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,12α,24R)-

CAS Registry Number®

268733-21-7

CAS Name

Cholestane-7,12,24-triol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,12α,24R)-

Molecular Formula

C34H65N3O6S

Molecular Mass

643.96

Cite this Page

Cholestane-7,12,24-triol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,12α,24R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=268733-21-7 (retrieved 2025-01-17) (CAS RN: 268733-21-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H65N3O6S/c1-22(2)30(43-44(40,41)42)12-9-23(3)26-10-11-27-32-28(21-31(39)34(26,27)5)33(4)14-13-25(19-24(33)20-29(32)38)37-18-8-17-36-16-7-6-15-35/h22-32,36-39H,6-21,35H2,1-5H3,(H,40,41,42)/t23-,24-,25+,26-,27+,28+,29-,30-,31+,32+,33+,34-/m1/s1

InChIKey

InChIKey=MLKPSUWJBRKLRQ-OLYMYDIQSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CC[C@@H](OS(=O)(=O)O)C(C)C)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@@](C1)(C[C@@H](NCCCNCCCCN)CC4)[H])[H])[H])[H]

Canonical SMILES

O=S(=O)(O)OC(CCC(C)C1CCC2C3C(O)CC4CC(NCCCNCCCCN)CCC4(C)C3CC(O)C12C)C(C)C

Other Names for this Substance

  • Cholestane-7,12,24-triol, 3-[[3-[(4-aminobutyl)amino]propyl]amino]-, 24-(hydrogen sulfate), (3β,5α,7α,12α,24R)-