chempirical

Peimisine

C27H41NO3CAS 19773-24-1427.63 g/mol

Open in Covalent MOL file
OOOHNH
AlcoholAlkeneEtherKetoneSecondary amine

Properties

Molecular formula
C27H41NO3
Molar mass
427.63 g/mol
Exact mass
427.3086 Da
logP
4.26Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0
Stereocentres
S, R, S, R, R, S, R, S, S, R, 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
19773-24-1
SMILES
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1
InChIKey
KYELXPJVGNZIGC-GKFGJCLESA-N
InChI
InChI=1S/C27H41NO3/c1-14-9-24-25(28-13-14)16(3)27(31-24)8-6-18-19(15(27)2)11-21-20(18)12-23(30)22-10-17(29)5-7-26(21,22)4/h14,16-18,20-22,24-25,28-29H,5-13H2,1-4H3/t14-,16+,17-,18+,20-,21-,22+,24+,25-,26+,27-/m0/s1

Weigh it out

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

Work with Peimisine

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

Yibeissine143502-51-674 % similar Cyclopamine4449-51-862 % similar Jervine469-59-052 % similar 6-Ketocholestanol1175-06-039 % similar Peiminine18059-10-437 % similar Imperialin61825-98-737 % similar (+)-Hecogenin467-55-033 % similar Tomatidine77-59-832 % similar

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

Elsewhere

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