chempirical

Imperialin

C27H43NO3CAS 61825-98-7429.65 g/mol

Open in Covalent MOL file
NOOHHO
AlcoholKetoneTertiary amine

Properties

Molecular formula
C27H43NO3
Molar mass
429.65 g/mol
Exact mass
429.3243 Da
Melting point
267 °C
logP
3.89Crippen estimate
Polar surface area
60.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
S, S, S, R, S, S, S, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
61825-98-7
SMILES
C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O
InChIKey
IQDIERHFZVCNRZ-LRCDAWNTSA-N
InChI
InChI=1S/C27H43NO3/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/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Cevan-6-one, 3,20-dihydroxy-, (3β,5α,17β)-
  • Imperialine
  • Benzo[7,8]fluoreno[2,1-b]quinolizine, cevan-6-one deriv.
  • (3β,5α,17β)-3,20-Dihydroxycevan-6-one
  • Kashmirine
  • Sipeimine
  • NSC 282170

Work with Imperialin

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

Peimine23496-41-569 % similar 6-Ketocholestanol1175-06-045 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-135 % similar Isopregnanolone516-55-235 % similar 7-Ketolithocholic acid4651-67-632 % similar Lithocholic acid434-13-931 % similar Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate10538-59-731 % similar Deoxycholic acid83-44-331 % similar

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

Same formula

Peiminine18059-10-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia