chempirical

Triptolide

C20H24O6CAS 38748-32-2360.41 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEpoxideEsterEtherLactone

Properties

Molecular formula
C20H24O6
Molar mass
360.41 g/mol
Exact mass
360.1573 Da
Melting point
226–227 °C
logP
1.10Crippen estimate
Polar surface area
84.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1
Stereocentres
R, S, S, S, S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
38748-32-2
SMILES
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O
InChIKey
DFBIRQPKNDILPW-CIVMWXNOSA-N
InChI
InChI=1S/C20H24O6/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/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • Trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-
  • (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one
  • Triptolid
  • [3bS-(3bα,4aα,5aR*,6β,6aβ,7aβ,7bα,8aR*,8bβ)]-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one
  • (-)-Triptolide
  • PG 490
  • NSC 163062

Work with Triptolide

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

Tripdiolide38647-10-870 % similar Triptonide38647-11-960 % similar

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

Same formula

Dibenzo-18-crown-614187-32-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia