Peiminine

C27H43NO3CAS 18059-10-4429.65 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
135 °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, S, Sin 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
18059-10-4
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-YUYPDVIUSA-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

9 names
  • Cevan-6-one, 3,20-dihydroxy-, (3β,5α)-
  • 5α-Cevan-6-one, 3β,20-dihydroxy-
  • Osnovanine
  • Fritillarine
  • Benzo[7,8]fluoreno[2,1-b]quinolizine, cevan-6-one deriv.
  • (3β,5α)-3,20-Dihydroxycevan-6-one
  • Verticinone
  • Raddeanine
  • Raddeanine (fritillaria)

Work with Peiminine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Imperialin61825-98-7Diastereomer

Similar compounds

Peimine23496-41-569 % similar Hupehenine98243-57-345 % similar 6-Ketocholestanol1175-06-045 % similar Peimisine19773-24-137 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-135 % similar Isopregnanolone516-55-235 % similar Yibeissine143502-51-634 % similar 23-Nordeoxycholic acid53608-86-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook