ChemSpider 2D Image | (2alpha,3beta,20beta)-2,3-Diacetoxyurs-12-ene-24,28-dioic acid | C34H50O8

(2α,3β,20β)-2,3-Diacetoxyurs-12-ene-24,28-dioic acid

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID138514

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3β,20β)-2,3-Diacetoxyurs-12-en-24,28-disäure [German] [ACD/IUPAC Name]
(2α,3β,20β)-2,3-Diacetoxyurs-12-ene-24,28-dioic acid [ACD/IUPAC Name]
Acide (2α,3β,20β)-2,3-diacétoxyurs-12-ène-24,28-dioïque [French] [ACD/IUPAC Name]
Urs-12-ene-24,28-dioic acid, 2,3-bis(acetyloxy)-, (2α,3β,20β)- [ACD/Index Name]
(2R,3R,4R,4AR,6AR,6BS,8AS,11S,12S,12AS,14AR,14BR)-2,3-BIS(ACETYLOXY)-4,6A,6B,11,12,14B-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,14,14A,14B-ICOSAHYDROPICENE-4,8A-DICARBOXYLIC ACID
(2R,3R,4R,4AR,6AR,6BS,8AS,11S,12S,12AS,14AR,14BR)-2,3-BIS(ACETYLOXY)-4,6A,6B,11,12,14B-HEXAMETHYL-2,3,4A,5,6,7,8,9,10,11,12,12A,14,14A-TETRADECAHYDRO-1H-PICENE-4,8A-DICARBOXYLIC ACID
2 A,3 SS,20 SS-URS-δ 12-ENE-23 SS,28-DIOIC ACID 2,3-DIACETATE
2α,3β,20β-Urs-δ 12-ene-23β,28-dioic acid 2,3-diacetate
79679-46-2 [RN]
Urs-12-ene-23,28-dioic acid, 2,3-bis(acetyloxy)-, (2-α,3-β,4-β,20-β)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 666.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 202.8±25.0 °C
Index of Refraction: 1.559
Molar Refractivity: 155.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.90
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 1677.33
ACD/KOC (pH 5.5): 1466.31
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 8.04
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 127 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 482.8±5.0 cm3

Click to predict properties on the Chemicalize site


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