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.

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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

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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