chempirical

Ankaflavin

C23H30O5CAS 50980-32-0386.49 g/mol

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AlkeneEsterEtherKetoneLactone

Properties

Molecular formula
C23H30O5
Molar mass
386.49 g/mol
Exact mass
386.2093 Da
logP
4.22Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
8
Double bonds
EE/Z, in SMILES 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
50980-32-0
SMILES
CCCCCCCC(=O)C1C2CC3=C(COC(=C3)/C=C/C)C(=O)C2(OC1=O)C
InChIKey
AQTJNEHGKRUSLT-BJMVGYQFSA-N
InChI
InChI=1S/C23H30O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12,18,20H,4,6-9,11,13-14H2,1-3H3/b10-5+

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Work with Ankaflavin

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

Monascin21516-68-798 % similar

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

Same formula

2H-Cyclopenta[B]furan-2-one, 5-(benzoyloxy)hexahydro-4-(3-hydroxy-3-methyl-1-octenyl)-, [3ar-[3aa,4A(1E,3S*),5B,6aa]]-54142-12-0

Elsewhere

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