Sitosterol 3-O-β-galactopyranoside

CAS Registry Number®

55057-29-9
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CAS Name

Sitosterol 3-O-β-galactopyranoside

Molecular Formula

C35H60O6

Molecular Mass

576.85

Cite this Page

Sitosterol 3-O-β-galactopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55057-29-9 (retrieved 2024-09-19) (CAS RN: 55057-29-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    275-277 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-/m1/s1

InChIKey

InChIKey=NPJICTMALKLTFW-MXYGQONUSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CC[C@H](C(C)C)CC)C)[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Galactopyranoside, (3β)-stigmast-5-en-3-yl
  • (3β)-Stigmast-5-en-3-yl β-D-galactopyranoside
  • β-Sitosteryl β-D-galactopyranoside
  • β-Sitosterol β-D-galactoside
  • β-Sitosterol 3-β-D-galactopyranoside

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Deleted or Replaced CAS Registry Numbers

135971-50-5