ChemSpider 2D Image | (1S,2S,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5,19-bis(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-3,7,20-trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]docosa-4(13),5,9,11,15-pentaene-14 ,18-dione | C38H46O6

(1S,2S,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5,19-bis(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14 ,18-dione

  • Molecular FormulaC38H46O6
  • Average mass598.768 Da
  • Monoisotopic mass598.329468 Da
  • ChemSpider ID8683165

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2S,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5,19-bis(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-14,
 18-dion [German] [ACD/IUPAC Name]
(1S,2S,17S,19R)-12-Hydroxy-8,21,21-trimethyl-5,19-bis(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaene-14
 ,18-dione [ACD/IUPAC Name]
(1S,2S,17S,19R)-12-Hydroxy-8,21,21-triméthyl-5,19-bis(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaène-14
 ,18-dione [French] [ACD/IUPAC Name]
1,5-Methano-1H,7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione, 3,3a,4,5-tetrahydro-8-hydroxy-3,3,11-trimethyl-1,13-bis(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-, (1R,3aS,5S,14aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 226.4±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.52
ACD/LogD (pH 5.5): 10.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8124626.00
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1750267.63
Polar Surface Area: 82 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 491.1±5.0 cm3

Click to predict properties on the Chemicalize site


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