chempirical

Triptonide

C20H22O6CAS 38647-11-9358.39 g/mol

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AlkeneEpoxideEsterEtherKetoneLactone

Properties

Molecular formula
C20H22O6
Molar mass
358.39 g/mol
Exact mass
358.1416 Da
Melting point
224–225 °C
logP
1.31Crippen estimate
Polar surface area
81.0 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
1
Stereocentres
S, S, S, S, S, S, S, Sin SMILES atom order

Identifiers

CAS number
38647-11-9
SMILES
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O
InChIKey
SWOVVKGLGOOUKI-ZHGGVEMFSA-N
InChI
InChI=1S/C20H22O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14H,4-7H2,1-3H3/t11-,12-,13-,14-,17-,18-,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione, 3b,4,4a,7a,7b,8b,9,10-octahydro-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-
  • Triptolide, 14-deoxy-14-oxo-
  • Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan, triptolide deriv.
  • (3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-3b,4,4a,7a,7b,8b,9,10-Octahydro-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione
  • Triptonid
  • (-)-Triptonide
  • Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione, 3b,4,4a,7a,7b,8b,9,10-octahydro-8b-methyl-6a-(1-methylethyl)-, [3bS-(3bα,4aα,5aR*,6aβ,7aβ,7bα,8aR*,8bβ)]-
  • NSC 165677
  • PG 492

Work with Triptonide

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

Triptolide38748-32-260 % similar Tripdiolide38647-10-840 % similar

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

Same formula

1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-9 Columbin546-97-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia