Epifriedelanol

C₃₀H₅₂OCAS 16844-71-6428.75 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₃₀H₅₂O
Molar mass: 428.75 g/mol
Exact mass: 428.4018 Da
Melting point: 279–283 °C
logP: 8.25Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: R, S, S, S, S, S, S, R, R, 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

16844-71-6

SMILES

C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C

InChIKey

XCDQFROEGGNAER-PFOIMGGJSA-N

InChI

InChI=1S/C30H52O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1

Weigh it out

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

Names and synonyms

13 names · show all

24,25,26-Trinoroleanan-3-ol, 5,9,13-trimethyl-, (3β,4β,5β,8α,9β,10α,13α,14β)-
D:A-Friedooleanan-3β-ol
D:A-Friedooleanan-3-ol, (3β)-
(3β,4β,5β,8α,9β,10α,13α,14β)-5,9,13-Trimethyl-24,25,26-trinoroleanan-3-ol
Epifriedelinol
Friedelan-3β-ol
Friedelin-3β-ol
β-Friedelinol
Epi-Friedelanol
Longan triterpane A
3β-Hydroxyfriedelane
3-Epifriedelinol
3-Epi-Friedanol

Work with Epifriedelanol

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

Friedelin559-74-058 % similar Beta-amyrin559-70-637 % similar Taraxasterol1059-14-936 % similar Lupeol545-47-135 % similar Alpha-Boswellic acid471-66-933 % similar Soyasapogenol B595-15-332 % similar (+)-Erythrodiol545-48-231 % similar Hederagenin465-99-631 % similar

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

Elsewhere

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