ChemSpider 2D Image | pachymic acid | C33H52O5

pachymic acid

  • Molecular FormulaC33H52O5
  • Average mass528.763 Da
  • Monoisotopic mass528.381470 Da
  • ChemSpider ID4588502
  • defined stereocentres - 8 of 8 defined stereocentres


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

(3β,16α)-3-Acetoxy-16-hydroxy-24-methylenelanost-8-en-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3-Acetoxy-16-hydroxy-24-methylenlanost-8-en-21-säure [German] [ACD/IUPAC Name]
29070-92-6 [RN]
Acide (3β,16α)-3-acétoxy-16-hydroxy-24-méthylènelanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 3-(acetyloxy)-16-hydroxy-24-methylene-, (3β,16α)- [ACD/Index Name]
pachymic acid
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-isopropyl-hex-5-enoic acid
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methyleneheptanoic acid
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetoxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylene-heptanoic acid
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

X2FCK16QAH [DBID]
CCRIS 7792 [DBID]
UNII:X2FCK16QAH [DBID]
UNII-X2FCK16QAH [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.2±6.0 kJ/mol
Flash Point: 184.7±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.59
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 94519.33
ACD/KOC (pH 5.5): 66724.82
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 1485.19
ACD/KOC (pH 7.4): 1048.45
Polar Surface Area: 84 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 480.1±5.0 cm3

Click to predict properties on the Chemicalize site






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