Found 78 results

Search term: MF = 'C_{33}H_{52}O_{6}'
ChemSpider 2D Image | 12,16-Dihydroxy-2,2,4a,6a,6b,11,12,14b-octamethyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-4H-piceno[3,4-d][1,3]dioxine-8a(4bH)-carboxylic acid | C33H52O6

12,16-Dihydroxy-2,2,4a,6a,6b,11,12,14b-octamethyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-4H-piceno[3,4-d][1,3]dioxine-8a(4bH)-carboxylic acid

  • Molecular FormulaC33H52O6
  • Average mass544.762 Da
  • Monoisotopic mass544.376404 Da
  • ChemSpider ID30797039

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

12,16-Dihydroxy-2,2,4a,6a,6b,11,12,14b-octamethyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-4H-piceno[3,4-d][1,3]dioxin-8a(4bH)-carbonsäure [German] [ACD/IUPAC Name]
12,16-Dihydroxy-2,2,4a,6a,6b,11,12,14b-octamethyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-4H-piceno[3,4-d][1,3]dioxine-8a(4bH)-carboxylic acid [ACD/IUPAC Name]
4H-Piceno[3,4-d]-1,3-dioxin-8a(4bH)-carboxylic acid, 4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadecahydro-12,16-dihydroxy-2,2,4a,6a,6b,11,12,14b-octamethyl- [ACD/Index Name]
Acide 12,16-dihydroxy-2,2,4a,6a,6b,11,12,14b-octaméthyl-4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b,15,16,16a-octadécahydro-4H-picéno[3,4-d][1,3]dioxine-8a(4bH)-carboxylique [French] [ACD/IUPAC Name]
(1R,2R,4R,5S,10R,11R,14R,15S,18S,21R,22R,23S)-4,22-dihydroxy-2,7,7,10,14,15,21,22-octamethyl-6,8-dioxahexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacos-24-ene-18-carboxylic acid
578710-52-8 [RN]
Myrianthic acid 3,23-acetonide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.9±6.0 kJ/mol
Flash Point: 198.3±25.0 °C
Index of Refraction: 1.575
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.47
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 4968.03
ACD/KOC (pH 5.5): 7597.59
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 78.59
ACD/KOC (pH 7.4): 120.19
Polar Surface Area: 96 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 455.1±5.0 cm3

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