chempirical

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

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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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