chempirical

Gomisin D

C28H34O10CAS 60546-10-3530.57 g/mol

Open in Covalent MOL file
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AcetalAlcoholEsterEtherLactone

Properties

Molecular formula
C28H34O10
Molar mass
530.57 g/mol
Exact mass
530.2152 Da
logP
3.42Crippen estimate
Polar surface area
122.1 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
3
Stereocentres
S, S, 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
60546-10-3
SMILES
C[C@H]1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5[C@@H]([C@@]1(C)O)OC(=O)[C@]([C@@H](CO4)C)(C)O)OC)OC)OC)OCO3
InChIKey
VLLFEMVDMFTBHG-KMIFWYFFSA-N
InChI
InChI=1S/C28H34O10/c1-13-8-15-9-18-22(37-12-36-18)24-19(15)20-16(10-17(32-5)21(33-6)23(20)34-7)25(27(13,3)30)38-26(29)28(4,31)14(2)11-35-24/h9-10,13-14,25,30-31H,8,11-12H2,1-7H3/t13-,14+,25-,27-,28+/m0/s1

Weigh it out

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Work with Gomisin D

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

Schisantherin A58546-56-872 % similar Gomisin G62956-48-372 % similar Schisantherin B58546-55-769 % similar Gomisin A58546-54-653 % similar Benzoylgomisin O130783-32-346 % similar Schisandrin B61281-37-646 % similar Gomisin N69176-52-946 % similar Angeloylgomisin O83864-69-144 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook