Daucosterol

C35H60O6CAS 474-58-8576.86 g/mol

Open in Covalent MOL file
OOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C35H60O6
Molar mass
576.86 g/mol
Exact mass
576.4390 Da
Melting point
290–295 °C
logP
5.85Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
9
Stereocentres
R, R, R, S, S, S, R, R, S, S, R, R, S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 39 ECHA notifiers. Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
474-58-8
SMILES
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIKey
NPJICTMALKLTFW-OFUAXYCQSA-N
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

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Names and synonyms

72 names · show all
  • WA 184
  • β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl
  • Stigmast-5-ene, 3β-(β-D-glucopyranosyloxy)-
  • Daucosterin
  • Stigmastane, β-D-glucopyranoside deriv.
  • (3β)-Stigmast-5-en-3-yl β-D-glucopyranoside
  • (-)-β-Sitosterol glucoside
  • Stigmast-5-ene, 3-(β-D-glucopyranosyloxy)-, (3β)-
  • Eleutheroside A
  • β-Sitosterol D-glucopyranoside
  • β-Sitosterol D-glucoside
  • β-Sitosterol β-D-glucopyranoside
  • β-Sitosterol O-glucoside
  • β-Sitosteryl β-D-glucoside
  • Alexandrin
  • Sitosterol glucoside
  • Sterolin
  • β-Sitosterol glucoside
  • 3-O-β-D-Glucopyranosylsitosterol
  • Coriandrinol
  • β-Sitosterol β-glucoside
  • β-Sitosterol 3-O-glucoside
  • β-Sitosterol monoglucoside
  • Sitogluside
  • β-Sitosteryl 3-β-D-glucoside
  • Sitosterol D-glucoside
  • Sitosteryl glucoside
  • β-Sitosteryl 3-O-β-D-glucoside
  • β-Sitosteryl glucoside
  • β-Sitosterol 3-O-β-glucopyranoside
  • β-Sitosterol O-β-D-glucoside
  • β-Sitosteryl 3-glucoside
  • Doursterol
  • Stigmast-5-en-3β-yl β-D-glucopyranoside
  • Sitosterol 3-O-β-D-glucopyranoside
  • β-Sitosterol β-glucopyranoside
  • β-Sitosteryl 3-O-glucoside
  • Sitosteryl 3β-glucoside
  • β-Sitosterol 3-O-β-D-glucopyranoside
  • β-Sitosterol β-D-glycopyranoside
  • β-Sitosterol β-D-glucoside
  • β-Sitosterol glucopyranoside
  • 3-(β-D-Glucopyranosyloxy)stigmast-5-ene
  • 3-O-β-D-Glucopyranosyl-β-sitosterol
  • β-Daucosterol
  • 1513DMIa
  • (-)-β-Sitosterol β-D-glucopyranoside
  • β-Sitosterol 3-O-β-D-glucoside
  • 3-O-β-D-Glucosyl-β-sitosterol
  • 3β-D-Glucosyl-β-sitosterol
  • Sitosteryl β-D-glucopyranoside
  • β-Sitosterol 3-β-D-glucopyranoside
  • β-Sitosteryl 3-O-β-D-glucopyranoside
  • β-Sitosteryl β-D-glucopyranoside
  • Sitosteryl 3β-D-glucopyranoside
  • EU 4906
  • BSSG
  • NSC 165962
  • Stigmast-5-en-3-β-glucopyranoside
  • Sitosterol 3-O-β-glucoside
  • β-Sitosterol-3-glucoside
  • β-Daucosterin
  • β-Sitosterol 3-O-D-glucoside
  • Sitosterol 3-O-β-glucopyranoside
  • 3-O-D-Glucopyranosyl-β-sitosterol
  • Daucosterine
  • Sitosterol glucopyranoside
  • 3β-Sitoster-3-yl β-D-glucopyranoside
  • Strumaroside
  • β-Sitosterol 3-O-β-glucoside
  • 3-(β-D-Glucopyranosyloxy)sitosterol
  • AW 10

Work with Daucosterol

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Similar compounds

Stigmasterol 3-O-β-D-glucopyranoside19716-26-875 % similar (-)-Beta-Sitosterol83-46-565 % similar Trillin14144-06-057 % similar Campesterol474-62-453 % similar Polyphyllin D76296-72-552 % similar Prosapogenin A19057-67-151 % similar Gracillin19083-00-250 % similar Solasonine19121-58-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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