ChemSpider 2D Image | (1S,2S,4aR,5R,8aR)-5-[(2-Methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)decahydro-2-naphthalenyl (2R,3S)-2-hydroxy-3-methylpentanoate | C34H52O6

(1S,2S,4aR,5R,8aR)-5-[(2-Methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)decahydro-2-naphthalenyl (2R,3S)-2-hydroxy-3-methylpentanoate

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID8613141

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2S,4aR,5R,8aR)-5-[(2-Methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylen-1-(4-methyl-3-penten-1-yl)decahydro-2-naphthalinyl-(2R,3S)-2-hydroxy-3-methylpentanoat [German] [ACD/IUPAC Name]
(1S,2S,4aR,5R,8aR)-5-[(2-Methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)decahydro-2-naphthalenyl (2R,3S)-2-hydroxy-3-methylpentanoate [ACD/IUPAC Name]
(2R,3S)-2-Hydroxy-3-méthylpentanoate de (1S,2S,4aR,5R,8aR)-5-[(2-méthoxy-5,6-diméthyl-4-oxo-4H-pyran-3-yl)méthyl]-1,4a-diméthyl-6-méthylène-1-(4-méthyl-3-pentén-1-yl)décahydro-2-naphtalényle [French] [ACD/IUPAC Name]
Pentanoic acid, 2-hydroxy-3-methyl-, (1S,2S,4aR,5R,8aR)-decahydro-5-[(2-methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylene-1-(4-methyl-3-penten-1-yl)-2-naphthalenyl ester, (2R, 3S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464343/
VIRIDOXIN A
VIRIDOXIN B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.7±6.0 kJ/mol
Flash Point: 192.8±25.0 °C
Index of Refraction: 1.528
Molar Refractivity: 158.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 8.07
ACD/BCF (pH 5.5): 802522.25
ACD/KOC (pH 5.5): 586111.31
ACD/LogD (pH 7.4): 8.07
ACD/BCF (pH 7.4): 802520.50
ACD/KOC (pH 7.4): 586110.00
Polar Surface Area: 82 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 514.4±5.0 cm3

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