chempirical

(+)-Erythrodiol

C30H50O2CAS 545-48-2442.73 g/mol

Open in Covalent MOL file
OHOH
AlcoholAlkene

Properties

Molecular formula
C30H50O2
Molar mass
442.73 g/mol
Exact mass
442.3811 Da
Melting point
231 °C
logP
7.14Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
S, S, R, R, S, R, R, Sin SMILES atom order

Identifiers

CAS number
545-48-2
SMILES
CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
PSZDOEIIIJFCFE-OSQDELBUSA-N
InChI
InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Olean-12-ene-3,28-diol, (3β)-
  • Olean-12-ene-3β,28-diol
  • Erythrodiol
  • (3β)-Olean-12-ene-3,28-diol
  • 3β,28-Dihydroxyolean-12-ene
  • 3β-Erythrodiol
  • Oleanolic alcohol

Work with (+)-Erythrodiol

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

β-Amyrin559-70-680 % similar Oleanolic acid508-02-171 % similar Methyl oleanolate1724-17-068 % similar Soyasapogenol B595-15-366 % similar Echinocystic acid510-30-565 % similar Hederagenin465-99-664 % similar Alpha-boswellic acid471-66-959 % similar Wilforlide A84104-71-258 % similar

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

Same formula

Betulin473-98-3 Cholesteryl propionate633-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook