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Search term: 65104356 (Found by CSID)
ChemSpider 2D Image | Chevalone C | C28H40O5

Chevalone C

  • Molecular FormulaC28H40O5
  • Average mass456.614 Da
  • Monoisotopic mass456.287567 Da
  • ChemSpider ID65104356

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,4aR,4bR,6aS,12aS,12bR,14aR)-1,1,4a,6a,9,12b-Hexamethyl-11-oxo-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[2,3-b]chromen-2-yl acetate [ACD/IUPAC Name]
(2S,4aR,4bR,6aS,12aS,12bR,14aR)-1,1,4a,6a,9,12b-Hexamethyl-11-oxo-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H,11H-naphtho[2,1-f]pyrano[2,3-b]chromen-2-yl-acetat [German] [ACD/IUPAC Name]
1318025-77-2 [RN]
1H,11H-Phenanthro[2,1-b]pyrano[3,2-e]pyran-11-one, 2-(acetyloxy)-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1,1,4a,6a,9,12b-hexamethyl-, (2S,4aR,4bR,6aS,12aS,12bR,14aR)- [ACD/Index Name]
Acétate de (2S,4aR,4bR,6aS,12aS,12bR,14aR)-1,1,4a,6a,9,12b-hexaméthyl-11-oxo-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tétradécahydro-1H,11H-naphto[2,1-f]pyrano[2,3-b]chromén-2-yle [French] [ACD/IUPAC Name]
Chevalone C
(2S,4aR,4bR,6aS,12aS,12bR,14aR)-2-(acetyloxy)-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1,1,4a,6a,9,12b-hexamethyl-1H,11H-phenanthro[2,1-b]pyrano[3,2-e]pyran-11-one
[(1R,2S,11S,14R,15R,18S,20R)-1,7,11,15,19,19-hexamethyl-5-oxo-8,10-dioxapentacyclo[12.8.0.02,11.04,9.015,20]docosa-4(9),6-dien-18-yl] acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 256.5±18.1 °C
Index of Refraction: 1.551
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 42116.90
ACD/KOC (pH 5.5): 71083.53
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42116.90
ACD/KOC (pH 7.4): 71083.53
Polar Surface Area: 62 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 395.1±5.0 cm3

Click to predict properties on the Chemicalize site


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