chempirical

Alisol C 23-acetate

C32H48O6CAS 26575-93-9528.73 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEpoxideEsterEtherKetone

Properties

Molecular formula
C32H48O6
Molar mass
528.73 g/mol
Exact mass
528.3451 Da
logP
5.59Crippen estimate
Polar surface area
93.2 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
5
Stereocentres
R, S, R, S, S, S, R, 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
26575-93-9
SMILES
C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2=O)C)C)(C)C)C)O
InChIKey
KOOCQNIPRJEMDH-QSKXMHMESA-N
InChI
InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1

Weigh it out

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

Work with Alisol C 23-acetate

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

Alisol B 23-acetate26575-95-179 % similar Alisol A 24-acetate18674-16-360 % similar Alisol G155521-46-352 % similar Alisol A19885-10-051 % similar (7Alpha,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-235 % similar Ursonic acid6246-46-430 % similar Oleanonic acid17990-42-030 % similar Lupenone1617-70-530 % similar

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

Elsewhere

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