Resibufogenin

C₂₄H₃₂O₄CAS 465-39-4384.52 g/mol

Open in Covalent MOL file

Alcohol Epoxide Ether

Properties

Molecular formula: C₂₄H₃₂O₄
Molar mass: 384.52 g/mol
Exact mass: 384.2301 Da
Melting point: 155 °C
logP: 4.26Crippen estimate
Polar surface area: 63.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: S, S, R, R, S, R, R, R, Sin SMILES atom order

Identifiers

CAS number

465-39-4

SMILES

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132

InChIKey

ATLJNLYIJOCWJE-CWMZOUAVSA-N

InChI

InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1

Weigh it out

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

Names and synonyms

11 names

Bufa-20,22-dienolide, 14,15-epoxy-3-hydroxy-, (3β,5β,15β)-
5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β-hydroxy-
(3β,5β,15β)-14,15-Epoxy-3-hydroxybufa-20,22-dienolide
Bufogenin
14,15β-Epoxy-3β-hydroxy-5β-bufa-20,22-dienolide
3β-Hydroxy-14,15β-epoxy-5β-bufa-20,22-dienolide
Respigon
Resi
Recibufogenin
NSC 90783
Resinobufagin

Work with Resibufogenin

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

Bufalin465-21-470 % similar Cinobufagin470-37-164 % similar Bufotalin471-95-457 % similar Gamabufotalin465-11-257 % similar Arenobufagin464-74-452 % similar Telocinobufagin472-26-445 % similar Cinobufotalin1108-68-542 % similar Digitoxigenin143-62-441 % similar

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

Same formula

Dimenformon dipropionate113-38-2 Ethynodiol diacetate297-76-7 Megestrol acetate595-33-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook