ChemSpider 2D Image | 6a'-Isopropyl-8b'-methyl-3b',4',4a',7a',7b',8b',9',10'-octahydro-6a'H-spiro[oxirane-2,6'-trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan]-1'(3'H)-one | C21H24O6

6a'-Isopropyl-8b'-methyl-3b',4',4a',7a',7b',8b',9',10'-octahydro-6a'H-spiro[oxirane-2,6'-trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan]-1'(3'H)-one

  • Molecular FormulaC21H24O6
  • Average mass372.412 Da
  • Monoisotopic mass372.157288 Da
  • ChemSpider ID24629875
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6a'-Isopropyl-8b'-methyl-3b',4',4a',7a',7b',8b',9',10'-octahydro-6a'H-spiro[oxirane-2,6'-trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan]-1'(3'H)-one [ACD/IUPAC Name]
Spiro[oxirane-2,6'(6'aH)-trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan]-1'(3'H)-one, 3'b,4',4'a,7'a,7'b,8'b,9',10'-octahydro-8'b-methyl-6'a-(1-methylethyl)- [ACD/Index Name]
(14S)-Triptolide-14-spiro-1'-oxirane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 578.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 255.9±30.2 °C
Index of Refraction: 1.653
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.60
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.60
Polar Surface Area: 76 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 248.9±5.0 cm3

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