chempirical

Gomisin G

C30H32O9CAS 62956-48-3536.58 g/mol

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AcetalAlcoholEsterEther

Properties

Molecular formula
C30H32O9
Molar mass
536.58 g/mol
Exact mass
536.2046 Da
logP
4.96Crippen estimate
Polar surface area
101.9 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
6
Stereocentres
S, S, 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
62956-48-3
SMILES
C[C@H]1CC2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@@H]([C@@]1(C)O)OC(=O)C5=CC=CC=C5)OCO4)OC)OC)OC)OC
InChIKey
OFDWKHIQKPKRKY-DSASHONVSA-N
InChI
InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1

Weigh it out

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Names and synonyms

1 names
  • Gomising

Work with Gomisin G

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

Gomisin D60546-10-372 % similar Schisantherin B58546-55-770 % similar Benzoylgomisin O130783-32-364 % similar Gomisin A58546-54-654 % similar Schisandrin B61281-37-646 % similar Gomisin N69176-52-946 % similar Angeloylgomisin O83864-69-145 % similar Schisandrin7432-28-244 % similar

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

Same formula

Schisantherin A58546-56-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook