Found 4 results

Search term: GYSZYWSJZCKCBD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one | C27H33NO3

(2R,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one

  • Molecular FormulaC27H33NO3
  • Average mass419.556 Da
  • Monoisotopic mass419.246033 Da
  • ChemSpider ID35014428

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2R,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-on [German] [ACD/IUPAC Name]
(2R,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one [ACD/IUPAC Name]
(2R,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-diméthyl-5,6,6a,7,12,12b,12c,13,14,14a-décahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]indol-3(4bH)-one [French] [ACD/IUPAC Name]
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2-(1-hydroxy-1-methylethyl)-12b,12c-dimethyl-, (2R,6aS,12bS,12cS,14aS)- [ACD/Index Name]
(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.0�,��.05,��.0�6,�4.0�7,��]tetracosa-9,16(24),17,19,21-pentaen-8-one
(1S,2S,5S,7R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one
112900-05-7 [RN]
Dehydroxypaxilline

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 607.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 321.3±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2672.41
ACD/KOC (pH 5.5): 9875.80
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2672.41
ACD/KOC (pH 7.4): 9875.81
Polar Surface Area: 62 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 334.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement