chempirical

Benzoylgomisin O

C30H32O8CAS 130783-32-3520.58 g/mol

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AcetalEsterEther

Properties

Molecular formula
C30H32O8
Molar mass
520.58 g/mol
Exact mass
520.2097 Da
logP
5.84Crippen estimate
Polar surface area
81.7 Ų
H-bond donors / acceptors
0 / 8
Rotatable bonds
6
Stereocentres
S, R, Sin 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
130783-32-3
SMILES
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]([C@H]1C)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3
InChIKey
XUGSROZUUURBSW-XOWTYJCDSA-N
InChI
InChI=1S/C30H32O8/c1-16-12-19-13-22-27(37-15-36-22)28(34-5)23(19)24-20(14-21(32-3)26(33-4)29(24)35-6)25(17(16)2)38-30(31)18-10-8-7-9-11-18/h7-11,13-14,16-17,25H,12,15H2,1-6H3/t16-,17-,25+/m0/s1

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Work with Benzoylgomisin O

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

Angeloylgomisin O83864-69-167 % similar Schisantherin A58546-56-864 % similar Gomisin G62956-48-364 % similar Schisandrin B61281-37-659 % similar Gomisin N69176-52-959 % similar Schisandrin C61301-33-553 % similar Gomisin D60546-10-346 % similar Schisantherin B58546-55-745 % similar

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

Elsewhere

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