chempirical

Peimine

C27H45NO3CAS 23496-41-5431.66 g/mol

Open in Covalent MOL file
NOHOHHO
AlcoholTertiary amine

Properties

Molecular formula
C27H45NO3
Molar mass
431.66 g/mol
Exact mass
431.3399 Da
Melting point
223 °C
logP
3.68Crippen estimate
Polar surface area
63.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
0
Stereocentres
S, S, S, R, S, S, S, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
23496-41-5
SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@H](O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O
InChIKey
IUKLSMSEHKDIIP-BZMYINFQSA-N
InChI
InChI=1S/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Cevane-3,6,20-triol, (3β,5α,6α)-
  • 5α-Cevane-3β,6α,20-triol
  • Verticine
  • (3β,5α,6α)-Cevane-3,6,20-triol
  • Dihydroisoimperialine

Work with Peimine

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

Peiminine18059-10-469 % similar Imperialin61825-98-769 % similar Hyodeoxycholic acid83-49-839 % similar Sodium hyodeoxycholate10421-49-537 % similar Cholestanol80-97-732 % similar 3α-Androstanediol1852-53-531 % similar 3β-Androstanediol571-20-031 % similar Ursodeoxycholic acid128-13-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook