ChemSpider 2D Image | 9,10,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol | C38H42N2O6

9,10,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol

  • Molecular FormulaC38H42N2O6
  • Average mass622.750 Da
  • Monoisotopic mass622.304260 Da
  • ChemSpider ID140290

More details:

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

9,10,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol [ACD/IUPAC Name]
9,10,25-Trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol [German] [ACD/IUPAC Name]
9,10,25-Triméthoxy-15,30-diméthyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodécaén-32-ol [French] [ACD/IUPAC Name]
116520-07-1 [RN]
2,3,8,13,13a,14,15,16,25,25a-Decahydro-18,19,30-trimethoxy-1,14-dimethyl-4,6:9,12:21,24-trietheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-5-ol
4,6:9,12:21,24-Trietheno-1H-pyrido(3',2':14,15)(1,11)dioxacycloeicosino(2,3,4-ij)isoquinolin-5-ol, 2,3,8,13,13a,14,15,16,25,25a-decahydro-18,19,30-trimethoxy-1,14-dimethyl-
9,10,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.218,21.18,12.016,35.027,31]heptatriaconta-3,5,8(35),9,11,18,20,24,26,31,33,36-dodecaen-32-ol(non-preferred name)
Cycleaneonine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 177.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 5.76
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 1572.86
ACD/KOC (pH 7.4): 4691.40
Polar Surface Area: 73 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 523.3±3.0 cm3

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