chempirical

Oridonin

C20H28O6CAS 28957-04-2364.44 g/mol

Open in Covalent MOL file
OHOOHOOHOH
AlcoholAlkeneEtherKetone

Properties

Molecular formula
C20H28O6
Molar mass
364.44 g/mol
Exact mass
364.1886 Da
Melting point
248–250 °C
logP
0.38Crippen estimate
Polar surface area
107.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
0
Stereocentres
R, R, S, S, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
28957-04-2
SMILES
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2O
InChIKey
SDHTXBWLVGWJFT-XKCURVIJSA-N
InChI
InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10-,11-,12-,13+,15+,16-,18+,19-,20+/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-, (1α,6β,7α,14R)-
  • Kaur-16-en-15-one, 7α,20-epoxy-1α,6β,7,14-tetrahydroxy-, (14R)-
  • 6,11b-(Epoxymethano)-6a,9-methano-1H-cyclohepta[a]naphthalene, kaur-16-en-15-one deriv.
  • (1α,6β,7α,14R)-7,20-Epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one
  • Isodonol
  • NSC 250682
  • Oridonine
  • (-)-Oridonin

Work with Oridonin

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

Ponicidin52617-37-557 % similar (7α,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione80508-81-232 % similar

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

Same formula

Phorbol17673-25-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook