chempirical

Eleutheroside E

C34H46O18CAS 39432-56-9742.72 g/mol

Open in Covalent MOL file
OOOOOOOHOHOHOHOOOOHOHOHOHO
AcetalAlcoholEther

Properties

Molecular formula
C34H46O18
Molar mass
742.72 g/mol
Exact mass
742.2684 Da
Melting point
267–269 °C
logP
-1.85Crippen estimate
Polar surface area
254.1 Ų
H-bond donors / acceptors
8 / 18
Rotatable bonds
12
Stereocentres
S, S, R, R, S, R, S, S, R, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
39432-56-9
SMILES
COc1cc([C@H]2OC[C@@H]3[C@@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
FFDULTAFAQRACT-JSGUJALWSA-N
InChI
InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,33+,34+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • β-D-Glucopyranoside, [(1R,3aR,4S,6aS)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-
  • β-D-Glucopyranoside, (tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2,6-dimethoxy-4,1-phenylene) bis-, [1R-(1α,3aβ,4β,6aα)]-
  • 1H,3H-Furo[3,4-c]furan, β-D-glucopyranoside deriv.
  • [(1R,3aR,4S,6aS)-Tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis(2,6-dimethoxy-4,1-phenylene) bis-β-D-glucopyranoside
  • Syringin E

Work with Eleutheroside E

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

Same formula

(-)-Syringaresinol diglucoside66791-77-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook