Eclalbasaponin II

C36H58O9CAS 78285-90-2634.85 g/mol

Open in Covalent MOL file
OOHOHOOOHOHHOHO
AcetalAlcoholAlkeneCarboxylic acidEther

Properties

Molecular formula
C36H58O9
Molar mass
634.85 g/mol
Exact mass
634.4081 Da
logP
4.03Crippen estimate
Polar surface area
156.9 Ų
H-bond donors / acceptors
6 / 8
Rotatable bonds
4
Stereocentres
R, R, S, R, R, S, R, R, S, S, R, R, R, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
78285-90-2
SMILES
CC1(C)CC[C@]2(C(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
WYDPEADEZMZKNM-ZBKPBKBGSA-N
InChI
InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, (3β,16α)-
  • (3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid
  • Ecliptasaponin A
  • Echinocystic acid-3-O-glucoside

Work with Eclalbasaponin II

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

Echinocystic acid510-30-570 % similar Hederacolchiside A1106577-39-367 % similar Chikusetsusaponin IVa51415-02-267 % similar Calenduloside E26020-14-465 % similar Araloside A7518-22-165 % similar Scabioside C17233-22-665 % similar Raddeanin A89412-79-364 % similar Saikosaponin F62687-63-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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