Alisol G

C₃₀H₄₈O₄CAS 155521-46-3472.71 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₃₀H₄₈O₄
Molar mass: 472.71 g/mol
Exact mass: 472.3553 Da
logP: 5.60Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: S, S, R, S, S, S, R, S, Rin SMILES atom order

Identifiers

CAS number

155521-46-3

SMILES

C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)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

WLNDANGOFVYODW-XCXJHVMUSA-N

InChI

InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h18,21-23,25-26,31-32,34H,1,9-16H2,2-8H3/t18-,21+,22+,23+,25+,26+,28+,29+,30+/m1/s1

Weigh it out

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

Names and synonyms

3 names

Dammara-13(17),25-dien-3-one, 11,23,24-trihydroxy-, (8α,9β,11β,14β,23S,24S)-
(8α,9β,11β,14β,23S,24S)-11,23,24-Trihydroxydammara-13(17),25-dien-3-one
25-Anhydroalisol A

Work with Alisol G

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 A19885-10-072 % similar Lupenone1617-70-540 % similar (+)-Betulonic acid4481-62-339 % similar (7α,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-234 % similar Ursonic acid6246-46-433 % similar

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

Same formula

Maslinic acid4373-41-5 Corosolic acid4547-24-4 Hederagenin465-99-6 Echinocystic acid510-30-5

Elsewhere

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