Gymnemagenin

C30H50O6CAS 22467-07-8506.72 g/mol

Open in Covalent MOL file
HOHOHOOHOHOH
AlcoholAlkene

Properties

Molecular formula
C30H50O6
Molar mass
506.72 g/mol
Exact mass
506.3607 Da
logP
3.03Crippen estimate
Polar surface area
121.4 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
2
Stereocentres
R, S, R, R, R, R, S, S, R, S, R, Rin SMILES atom 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
22467-07-8
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC([C@H]([C@@H]5O)O)(C)C)CO)O)C)C)(C)CO)O
InChIKey
VKJLHZZPVLQJKG-ABHKXHSUSA-N
InChI
InChI=1S/C30H50O6/c1-25(2)13-18-17-7-8-20-26(3)11-10-21(33)27(4,15-31)19(26)9-12-28(20,5)29(17,6)14-22(34)30(18,16-32)24(36)23(25)35/h7,18-24,31-36H,8-16H2,1-6H3/t18-,19+,20+,21-,22-,23-,24-,26-,27-,28+,29+,30-/m0/s1

Weigh it out

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

Work with Gymnemagenin

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

Soyasapogenol B595-15-362 % similar Hederagenin465-99-658 % similar (+)-Erythrodiol545-48-253 % similar Rotundic acid20137-37-549 % similar Echinocystic acid510-30-549 % similar (3β,4α,16β,21β,22α)-28-(Acetyloxy)-16,22,23-trihydroxy-21-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl β-D-glucopyranosiduronic acid122168-40-549 % similar Beta-amyrin559-70-648 % similar Arjunolic acid465-00-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook