Alisol A

C₃₀H₅₀O₅CAS 19885-10-0490.73 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₃₀H₅₀O₅
Molar mass: 490.73 g/mol
Exact mass: 490.3658 Da
Melting point: 90–91 °C
logP: 4.79Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 4 / 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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

19885-10-0

SMILES

C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1

InChIKey

HNOSJVWYGXOFRP-UNPOXIGHSA-N

InChI

InChI=1S/C30H50O5/c1-17(15-21(32)25(34)27(4,5)35)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32,34-35H,9-16H2,1-8H3/t17-,20+,21+,22+,24+,25-,28+,29+,30+/m1/s1

Weigh it out

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

Names and synonyms

3 names

Dammar-13(17)-en-3-one, 11,23,24,25-tetrahydroxy-, (8α,9β,11β,14β,23S,24R)-
8α,9β,14β-Dammar-13(17)-en-3-one, 11β,23,24,25-tetrahydroxy-, (23S,24R)-
(8α,9β,11β,14β,23S,24R)-11,23,24,25-Tetrahydroxydammar-13(17)-en-3-one

Work with Alisol A

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 A 24-acetate18674-16-378 % similar Alisol G155521-46-372 % similar Alisol B 23-acetate26575-95-165 % similar Alisol C 23-acetate26575-93-951 % similar Oleanonic acid17990-42-034 % similar Ursonic acid6246-46-434 % similar Lupenone1617-70-531 % similar (+)-Betulonic acid4481-62-331 % similar

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

Same formula

Eldecalcitol104121-92-8 Cycloastragenol78574-94-4 Cyclogalegenin84605-18-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook