chempirical

Rosiridin

C16H28O7CAS 100462-37-1332.39 g/mol

Open in Covalent MOL file
HOOOOHOHOHHO
AcetalAlcoholAlkeneEther

Properties

Molecular formula
C16H28O7
Molar mass
332.39 g/mol
Exact mass
332.1835 Da
logP
-0.53Crippen estimate
Polar surface area
119.6 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
7
Stereocentres
S, R, R, S, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
100462-37-1
SMILES
CC(C)=CC[C@H](O)/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
PBPYEEMQIFDGSQ-MOIFMYGASA-N
InChI
InChI=1S/C16H28O7/c1-9(2)4-5-11(18)10(3)6-7-22-16-15(21)14(20)13(19)12(8-17)23-16/h4,6,11-21H,5,7-8H2,1-3H3/b10-6+/t11-,12+,13+,14-,15+,16+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • β-D-Glucopyranoside, (2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadien-1-yl
  • β-D-Glucopyranoside, (2E,4S)-4-hydroxy-3,7-dimethyl-2,6-octadienyl
  • (2E,4S)-4-Hydroxy-3,7-dimethyl-2,6-octadien-1-yl β-D-glucopyranoside
  • Rosiridol 1-O-β-D-glucopyranoside
  • (S)-Rosiridol 1-O-β-D-glucopyranoside
  • 6′-O-Deacetylrosiridoside C
  • (-)-Rosiridin

Work with Rosiridin

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

Allyl α-D-glucopyranoside7464-56-450 % similar Amylodextrin9005-84-936 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-736 % similar 4-Methoxyphenylglucoside6032-32-236 % similar 6-O-α-D-Glucopyranosyl-α-D-fructofuranose58166-27-135 % similar Arbutin497-76-735 % similar Beta-D-glucose9001-37-034 % similar Alpha-Lactose monohydrate5989-81-134 % similar

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

Elsewhere

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