Triptonide

C₂₀H₂₂O₆CAS 38647-11-9358.39 g/mol

Open in Covalent MOL file

Alkene Epoxide Ester Ether Ketone Lactone

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 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 1
Stereocentres: S, S, S, S, S, S, S, Sin SMILES atom order

Hazards

Danger

H300+H330 Fatal if swallowed or if inhaled50% of notifiers
H300 Fatal if swallowed100% of notifiers
H330 Fatal if inhaled100% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers
H361f Suspected of damaging fertility50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P271, P280, P284, P301+P316, P304+P340, P316, P318, P320, P321, P330, P403+P233, P405, P501

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 Triptophenolide74285-86-231 % 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