Found 1 result

Search term: 78438521 (Found by CSID)
ChemSpider 2D Image | (3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)-3-[(2S)-3,3-Dimethyl-2-oxiranyl]-1,1,13b,13c-tetramethyl-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4' ,4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol | C32H41NO6

(3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)-3-[(2S)-3,3-Dimethyl-2-oxiranyl]-1,1,13b,13c-tetramethyl-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4' ,4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol

  • Molecular FormulaC32H41NO6
  • Average mass535.671 Da
  • Monoisotopic mass535.293396 Da
  • ChemSpider ID78438521

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)-3-[(2S)-3,3-Dimethyl-2-oxiranyl]-1,1,13b,13c-tetramethyl-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4' ,4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol [German] [ACD/IUPAC Name]
(3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)-3-[(2S)-3,3-Dimethyl-2-oxiranyl]-1,1,13b,13c-tetramethyl-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxireno[4' ,4a']chromeno[5',6':6,7]indeno[1,2-b]indol-5b-ol [ACD/IUPAC Name]
(3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)-3-[(2S)-3,3-Diméthyl-2-oxiranyl]-1,1,13b,13c-tétraméthyl-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tétradécahydro-5bH-[1,3]dioxino[5'',4'':2',3']oxiréno[4' ,4a']chroméno[5',6':6,7]indéno[1,2-b]indol-5b-ol [French] [ACD/IUPAC Name]
5bH-[1,3]Dioxino[5'',4'':2',3']oxireno[4',4a'][1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-5b-ol, 3-[(2S)-3,3-dimethyloxiranyl]-1,4a,4b,6,7,7a,8,13,13b,13c,14,15,15a,16a-tetradecahydro-1,1,13b,13c-tetr amethyl-, (3R,4aS,4bS,5aR,5bR,7aR,13bR,13cS,15aR,16aR)- [ACD/Index Name]
Terpendole A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.655
Molar Refractivity: 145.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.43
ACD/LogD (pH 5.5): 5.71
ACD/BCF (pH 5.5): 12818.72
ACD/KOC (pH 5.5): 30337.77
ACD/LogD (pH 7.4): 5.71
ACD/BCF (pH 7.4): 12818.74
ACD/KOC (pH 7.4): 30337.80
Polar Surface Area: 89 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 395.7±5.0 cm3

Click to predict properties on the Chemicalize site


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