Eleutheroside E

C₃₄H₄₆O₁₈CAS 39432-56-9742.72 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

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 Å²
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

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acanthoside D66791-77-3Diastereomer

Similar compounds

(-)-Syringaresinol-4-O-beta-D-glucopyranoside137038-13-290 % similar Acanthoside B7374-79-090 % similar Phillyrin487-41-275 % similar (+)-Piresil-4-O-beta-D-glucopyraside69251-96-369 % similar Syringin118-34-361 % similar (+)-Yangambin13060-14-553 % similar 4-Methoxyphenyl beta-D-galactopyranoside3150-20-752 % similar 4-Methoxyphenylglucoside6032-32-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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