ChemSpider 2D Image | Lantadene B | C35H52O5

Lantadene B

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID20141716

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(22β)-22-[(3-Methyl-2-butenoyl)oxy]-3-oxoolean-12-en-28-oic acid [ACD/IUPAC Name]
(22β)-22-[(3-Methyl-2-butenoyl)oxy]-3-oxoolean-12-en-28-säure [German] [ACD/IUPAC Name]
467-82-3 [RN]
Acide (22β)-22-[(3-méthyl-2-butenoyl)oxy]-3-oxooléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Lantadene B
Olean-12-en-28-oic acid, 22-((3-methyl-1-oxo-2-butenyl)oxy)-3-oxo-, (22β)-
Olean-12-en-28-oic acid, 22-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-3-oxo-, (22β)- [ACD/Index Name]
Olean-12-en-28-oic acid, 22-β-hydroxy-3-oxo-, 3-methylcrotonate
(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methyl-1-oxobut-2-enoxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

A54682CY7G [DBID]
UNII:A54682CY7G [DBID]
UNII-A54682CY7G [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 187.9±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.56
ACD/LogD (pH 5.5): 7.63
ACD/BCF (pH 5.5): 171395.63
ACD/KOC (pH 5.5): 77269.84
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 3013.00
ACD/KOC (pH 7.4): 1358.34
Polar Surface Area: 81 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


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