chempirical

Triptophenolide

C20H24O3CAS 74285-86-2312.41 g/mol

Open in Covalent MOL file
OOHO
AlkeneEsterLactonePhenol

Properties

Molecular formula
C20H24O3
Molar mass
312.41 g/mol
Exact mass
312.1725 Da
logP
3.98Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
S, 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
74285-86-2
SMILES
CC(C)C1=C(C2=C(C=C1)[C@]3(CCC4=C([C@@H]3CC2)COC4=O)C)O
InChIKey
KPXIBWGPZSPABK-FXAWDEMLSA-N
InChI
InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Triptophenolide

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

Triptolide38748-32-232 % similar Triptonide38647-11-931 % similar

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

Same formula

Trenbolone acetate10161-34-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook