Tripdiolide

C20H24O7CAS 38647-10-8376.41 g/mol

Open in Covalent MOL file
OOOOOOHHO
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

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