Alisol B 23-acetate

C₃₂H₅₀O₅CAS 26575-95-1514.75 g/mol

Open in Covalent MOL file

Alcohol Alkene Epoxide Ester Ether Ketone

Properties

Molecular formula: C₃₂H₅₀O₅
Molar mass: 514.75 g/mol
Exact mass: 514.3658 Da
logP: 6.41Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 5
Stereocentres: R, S, R, S, S, S, R, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

26575-95-1

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)C)C)(C)C)C)O

InChIKey

NLOAQXKIIGTTRE-JSWHPQHOSA-N

InChI

InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,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.

Names and synonyms

1 names

Alisol B acetate

Work with Alisol B 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 C 23-acetate26575-93-979 % similar Alisol A 24-acetate18674-16-375 % similar Alisol G155521-46-366 % similar Alisol A19885-10-065 % similar (7Alpha,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-236 % 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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