ChemSpider 2D Image | (1S,2S,14R,15R,19S)-5,17,17,18,18-Pentamethyl-13,16-dioxa-5-azaheptacyclo[13.5.2.1~2,8~.0~1,6~.0~2,14~.0~12,23~.0~15,19~]tricosa-8(23),9,11-trien-11-ol | C25H33NO3

(1S,2S,14R,15R,19S)-5,17,17,18,18-Pentamethyl-13,16-dioxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.012,23.015,19]tricosa-8(23),9,11-trien-11-ol

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID28516471

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,2S,14R,15R,19S)-5,17,17,18,18-Pentamethyl-13,16-dioxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.012,23.015,19]tricosa-8(23),9,11-trien-11-ol [German] [ACD/IUPAC Name]
(1S,2S,14R,15R,19S)-5,17,17,18,18-Pentamethyl-13,16-dioxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.012,23.015,19]tricosa-8(23),9,11-trien-11-ol [ACD/IUPAC Name]
(1S,2S,14R,15R,19S)-5,17,17,18,18-Pentaméthyl-13,16-dioxa-5-azaheptacyclo[13.5.2.12,8.01,6.02,14.012,23.015,19]tricosa-8(23),9,11-trién-11-ol [French] [ACD/IUPAC Name]
8a,12a-Ethano-4,8-methano-12bH-benzofuro[3,2-e]furo[2,3-g]isoquinolin-1-ol, 5,6,7,8,9,9a,10,11-octahydro-7,10,10,11,11-pentamethyl-, (4bS,8aS,9aS,12aR,12bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 111.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 20.03
ACD/KOC (pH 7.4): 128.85
Polar Surface Area: 42 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

Click to predict properties on the Chemicalize site


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