ChemSpider 2D Image | (1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-Methoxy-8-[(2R,4R)-4-methoxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-2-en-16-ol | C32H52O4

(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-Methoxy-8-[(2R,4R)-4-methoxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID34253358

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-Methoxy-8-[(2R,4R)-4-methoxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [German] [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-Methoxy-8-[(2R,4R)-4-methoxy-6-methyl-5-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-Méthoxy-8-[(2R,4R)-4-méthoxy-6-méthyl-5-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-ol [French] [ACD/IUPAC Name]
5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthren-3-ol, 1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-18-methoxy-17-[(1R,3R)-3-methoxy-1,5-dimethyl-4-hexen-1-yl]-4,4,13,14-tetramethyl-, (3S,5R,8S,9S,10S,13 R,14S,17R,18S)- [ACD/Index Name]
(19S,23R)-5??,19-Epoxy-19,23-dimethoxycucurbita-6,24-dien-3??-ol
(1R,4S,5S,8R,9R,12S,13S,16S,19S)-19-methoxy-8-[(2R,4R)-4-methoxy-6-methylhept-5-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol
1474062-47-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 569.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.2±6.0 kJ/mol
Flash Point: 298.4±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 146.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.01
ACD/LogD (pH 5.5): 6.65
ACD/BCF (pH 5.5): 66864.02
ACD/KOC (pH 5.5): 98958.55
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 66864.02
ACD/KOC (pH 7.4): 98958.55
Polar Surface Area: 48 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 41.4±5.0 dyne/cm
Molar Volume: 465.7±5.0 cm3

Click to predict properties on the Chemicalize site


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