Alisol G

C30H48O4CAS 155521-46-3472.71 g/mol

Open in Covalent MOL file
HOOHOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C30H48O4
Molar mass
472.71 g/mol
Exact mass
472.3553 Da
logP
5.60Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
5
Stereocentres
S, 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.

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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

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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 Alisol A 24-acetate18674-16-369 % similar Alisol B 23-acetate26575-95-166 % similar Alisol C 23-acetate26575-93-952 % similar Lupenone1617-70-540 % similar (+)-Betulonic acid4481-62-339 % similar (7Alpha,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-234 % similar Oleanonic acid17990-42-033 % 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 23-Hydroxybetulinic acid85999-40-2

Elsewhere

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