chempirical

Ailanthone

C20H24O7CAS 981-15-7376.41 g/mol

Open in Covalent MOL file
OHOHOOHOOO
AlcoholAlkeneEsterEtherKetoneLactone

Properties

Molecular formula
C20H24O7
Molar mass
376.41 g/mol
Exact mass
376.1522 Da
Melting point
235–237 °C
logP
0.09Crippen estimate
Polar surface area
113.3 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
0
Stereocentres
R, R, S, R, S, S, S, R, Sin SMILES atom order

Identifiers

CAS number
981-15-7
SMILES
C=C1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
InChIKey
WBBVXGHSWZIJST-RLQYZCPESA-N
InChI
InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α)-
  • 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione, 1,3a,4,7,7a,11,11a,11b-octahydro-1α,2β,11β-trihydroxy-8,11aβ-dimethyl-3-methylene-
  • (1β,11β,12α)-11,20-Epoxy-1,11,12-trihydroxypicrasa-3,13(21)-diene-2,16-dione
  • δ13-Dehydrochaparrinone
  • 13,21-Didehydrochaparrinone

Work with Ailanthone

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

Eurycomanone84633-29-457 % similar Bruceine D21499-66-144 % similar

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

Same formula

Tripdiolide38647-10-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia