ChemSpider 2D Image | (1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,28E,30S,33S,35R,37E,38R)-28,37-Diethylidene-35,38-dihydroxy-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.2~11,14~.1~1,8~.1~10,17~.0~2,7~.0~9,25~.0~ 13,17~.0~18,23~.0~24,35~.0~26,38~.0~30,33~]octatriaconta-2,4,6,18,20,22-hexaene | C40H48N4O2

(1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,28E,30S,33S,35R,37E,38R)-28,37-Diethylidene-35,38-dihydroxy-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,8.110,17.02,7.09,25.0 13,17.018,23.024,35.026,38.030,33]octatriaconta-2,4,6,18,20,22-hexaene

  • Molecular FormulaC40H48N4O2
  • Average mass616.834 Da
  • Monoisotopic mass616.376648 Da
  • ChemSpider ID4444723

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,28E,30S,33S,35R,37E,38R)-28,37-Diethyliden-35,38-dihydroxy-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,8.110,17.02,7.09,25.01 3,17.018,23.024,35.026,38.030,33]octatriaconta-2,4,6,18,20,22-hexaen [German] [ACD/IUPAC Name]
(1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,28E,30S,33S,35R,37E,38R)-28,37-Diethylidene-35,38-dihydroxy-14,30-dimethyl-8,24-diaza-14,30-diazoniadodecacyclo[25.5.2.211,14.11,8.110,17.02,7.09,25.0 13,17.018,23.024,35.026,38.030,33]octatriaconta-2,4,6,18,20,22-hexaene [ACD/IUPAC Name]
(1R,9R,10R,11R,13S,14S,17R,25R,26R,27R,28E,30S,33S,35R,37E,38R)-28,37-Diéthylidène-35,38-dihydroxy-14,30-diméthyl-8,24-diaza-14,30-diazoniadodécacyclo[25.5.2.211,14.11,8.110,17.02,7.09,25.0 13,17.018,23.024,35.026,38.030,33]octatriaconta-2,4,6,18,20,22-hexaène [French] [ACD/IUPAC Name]
7,9:17,19-Diethanoindolo[1'',2'',3'':1',7']pyrrolo[2'',3'':6',7']indolo[2',3':4,5]pyrrolo[1,2,3-lm]pyrrolo[2,3-d]carbazolium, 21,23-diethylidene-4c,5,6,7,7a,8,9,9a,9b,14c,15,16,17,17a,18,19,19a,19b-oc tadecahydro-4c,14c-dihydroxy-7,17-dimethyl-, (4bR,4cR,7S,7aS,9R,9aR,9bR,14bR,14cR,17S,17aS,19R,19aR,19bR,21E,23E)- [ACD/Index Name]
Calebassine
Calebassone
C-Calebassine

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

C09085 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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