chempirical

Yibeissine

C27H41NO4CAS 143502-51-6443.63 g/mol

Open in Covalent MOL file
OOHOOHNH
AlcoholAlkeneEtherKetoneSecondary amine

Properties

Molecular formula
C27H41NO4
Molar mass
443.63 g/mol
Exact mass
443.3036 Da
logP
3.23Crippen estimate
Polar surface area
78.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0
Stereocentres
S, R, S, R, R, S, S, S, S, R, S, Rin 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
143502-51-6
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]5[C@H](C4=C3C)O)C)O)C)NC1
InChIKey
NURPXYQPDMVKOY-RUKZUWONSA-N
InChI
InChI=1S/C27H41NO4/c1-13-9-21-24(28-12-13)15(3)27(32-21)8-6-17-18-11-20(30)19-10-16(29)5-7-26(19,4)23(18)25(31)22(17)14(27)2/h13,15-19,21,23-25,28-29,31H,5-12H2,1-4H3/t13-,15+,16-,17-,18-,19+,21+,23+,24-,25-,26-,27-/m0/s1

Weigh it out

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

Work with Yibeissine

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

Peimisine19773-24-174 % similar Jervine469-59-051 % similar Cyclopamine4449-51-849 % similar 6-Ketocholestanol1175-06-035 % similar Peiminine18059-10-434 % similar Imperialin61825-98-734 % similar (+)-Hecogenin467-55-031 % similar Tomatidine77-59-831 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook