chempirical

Stigmasterol 3-O-β-D-glucopyranoside

C35H58O6CAS 19716-26-8574.84 g/mol

Open in Covalent MOL file
OOHOOHOHOH
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C35H58O6
Molar mass
574.84 g/mol
Exact mass
574.4233 Da
Melting point
299 °C
logP
5.63Crippen estimate
Polar surface area
99.4 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
8
Stereocentres
S, R, R, S, S, S, R, R, S, S, R, R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
19716-26-8
SMILES
CC[C@H](/C=C/[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
VWDLOXMZIGUBKM-AUGXRQBFSA-N
InChI
InChI=1S/C35H58O6/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/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/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

22 names · show all
  • β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22-dien-3-yl
  • Stigmasta-5,22-diene, 3β-(β-D-glucopyranosyloxy)-
  • Stigmastane, β-D-glucopyranoside deriv.
  • (3β,22E)-Stigmasta-5,22-dien-3-yl β-D-glucopyranoside
  • Stigmasteryl β-glucoside
  • Stigmasterol glucoside
  • Stigmasterol β-D-glucoside
  • Stigmasteryl D-glucoside
  • Stigmasteryl β-D-glucopyranoside
  • Stigmasterol 3-β-D-glucopyranoside
  • Stigmasterol β-glucopyranoside
  • Stigmasterol β-D-glucopyranoside
  • Stigmasterol 3-O-glucoside
  • Stigmasterol 3-O-β-D-glucoside
  • δ5-Stigmasterol 3-O-β-D-glucopyranoside
  • β-Stigmasteryl 3-O-β-D-glucopyranoside
  • 3-O-β-D-Glucopyranosylstigmasterol
  • Stigma-5,22-dien-3-β-D-glucopyranoside
  • Stigmasterol O-glucoside
  • 3-O-β-D-Glucopyranosyl-β-stigmasterol
  • Stigmasta-5,22-diene-3-O-β-D-glucopyranoside
  • β-Stigmasterol-3-O-β-D-glucopyranoside

Work with Stigmasterol 3-O-β-D-glucopyranoside

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

Daucosterol474-58-875 % similar Stigmasterol83-48-765 % similar Trillin14144-06-057 % similar Prosapogenin A19057-67-152 % similar Gracillin19083-00-252 % similar Polyphyllin D76296-72-552 % similar (+)-Dioscin19057-60-451 % similar Protodioscin55056-80-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tocofersolan9002-96-4

Elsewhere

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