chempirical

Tripdiolide

C20H24O7CAS 38647-10-8376.41 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEpoxideEsterEtherLactone

Properties

Molecular formula
C20H24O7
Molar mass
376.41 g/mol
Exact mass
376.1522 Da
Melting point
220–222 °C
logP
0.07Crippen estimate
Polar surface area
104.3 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
1
Stereocentres
R, S, S, S, S, S, S, S, S, Rin SMILES atom order

Identifiers

CAS number
38647-10-8
SMILES
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(C(=O)OC4)[C@@H](O)C[C@@]13C)[C@@H]2O
InChIKey
PUJWFVBVNFXCHZ-SQEQANQOSA-N
InChI
InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,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-6,10-dihydroxy-8b-methyl-6a-(1-methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-
  • Triptolide, 2-hydroxy-, (2β)-
  • (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-6,10-dihydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one
  • NSC 163063
  • Triptodiolide
  • 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-6,10-dihydroxy-8b-methyl-6a-(1-methylethyl)-, [3bS-(3bα,4aα,5aR*,6β,6aβ,7aβ,7bα,8aR*,8bβ,10β)]-
  • (-)-Tripdiolide

Work with Tripdiolide

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

Triptolide38748-32-270 % similar Triptonide38647-11-940 % similar

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

Same formula

Ailanthone981-15-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia