chempirical

Alisol A 24-acetate

C32H52O6CAS 18674-16-3532.76 g/mol

Open in Covalent MOL file
OHOOOHOOH
AlcoholAlkeneEsterKetone

Properties

Molecular formula
C32H52O6
Molar mass
532.76 g/mol
Exact mass
532.3764 Da
logP
5.37Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6
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
18674-16-3
SMILES
C[C@H](C[C@@H]([C@H](C(C)(C)O)OC(=O)C)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChIKey
WXHUQVMHWUQNTG-JSWHPQHOSA-N
InChI
InChI=1S/C32H52O6/c1-18(16-23(35)27(29(5,6)37)38-19(2)33)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(36)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34-35,37H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1

Weigh it out

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

Work with Alisol A 24-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 A19885-10-078 % similar Alisol B 23-acetate26575-95-175 % similar Alisol G155521-46-369 % similar Alisol C 23-acetate26575-93-960 % similar (7Alpha,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-238 % similar Ursonic acid6246-46-432 % similar Oleanonic acid17990-42-032 % similar Lupenone1617-70-530 % similar

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

Elsewhere

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