chempirical

Periplogenin

C23H34O5CAS 514-39-6390.52 g/mol

Open in Covalent MOL file
OHOHOOOH
AlcoholAlkeneEsterLactone

Properties

Molecular formula
C23H34O5
Molar mass
390.52 g/mol
Exact mass
390.2406 Da
Melting point
135–140 °C
logP
2.72Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1
Stereocentres
R, S, S, R, S, R, 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
514-39-6
SMILES
C[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
InChIKey
QJPCKAJTLHDNCS-FBAXFMHRSA-N
InChI
InChI=1S/C23H34O5/c1-20-7-3-15(24)12-22(20,26)9-5-18-17(20)4-8-21(2)16(6-10-23(18,21)27)14-11-19(25)28-13-14/h11,15-18,24,26-27H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,20+,21+,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Card-20(22)-enolide, 3,5,14-trihydroxy-, (3β,5β)-
  • 5β-Card-20(22)-enolide, 3β,5,14-trihydroxy-
  • (3β,5β)-3,5,14-Trihydroxycard-20(22)-enolide
  • Desoxostrophanthidin
  • 5β-Hydroxydigitoxigenin
  • 3β,5β,14β-Trihydroxy-20(22)-cardenolide
  • 3β,5β,14β-Trihydroxy-8βH-card-20(22)-enolide

Work with Periplogenin

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

Digitoxigenin143-62-467 % similar Periplocin13137-64-953 % similar Telocinobufagin472-26-449 % similar Digitoxin71-63-647 % similar Cinobufotalin1108-68-539 % similar Oleandrin465-16-735 % similar (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one82543-16-634 % similar Norethandrolone52-78-833 % similar

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

Same formula

Tussilagone104012-37-5 Digoxigenin1672-46-4 Latanoprost acid41639-83-2 Mevastatin73573-88-3 Treprostinil81846-19-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook