ChemSpider 2D Image | (4aR,5aS,6aR,7aS,9aR,10aS,12R,13S,14aR,15aS,16aR,17R,18aS,19aR,20aS)-13-(Hydroxymethyl)-4,5a,9a,10a,13,17-hexamethyl-4a,5a,6,6a,7a,8,9,9a,10a,11,12,13,14a,15,15a,16a,17,18,18a,19a,20,20a-docosahydro-2 H-pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[2,3-f]oxepin-12-ol | C32H50O9

(4aR,5aS,6aR,7aS,9aR,10aS,12R,13S,14aR,15aS,16aR,17R,18aS,19aR,20aS)-13-(Hydroxymethyl)-4,5a,9a,10a,13,17-hexamethyl-4a,5a,6,6a,7a,8,9,9a,10a,11,12,13,14a,15,15a,16a,17,18,18a,19a,20,20a-docosahydro-2 H-pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[2,3-f]oxepin-12-ol

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID9664915

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(4aR,5aS,6aR,7aS,9aR,10aS,12R,13S,14aR,15aS,16aR,17R,18aS,19aR,20aS)-13-(Hydroxymethyl)-4,5a,9a,10a,13,17-hexamethyl-4a,5a,6,6a,7a,8,9,9a,10a,11,12,13,14a,15,15a,16a,17,18,18a,19a,20,20a-docosahydro-2 H-pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[2,3-f]oxepin-12-ol [ACD/IUPAC Name]
(4aR,5aS,6aR,7aS,9aR,10aS,12R,13S,14aR,15aS,16aR,17R,18aS,19aR,20aS)-13-(Hydroxymethyl)-4,5a,9a,10a,13,17-hexamethyl-4a,5a,6,6a,7a,8,9,9a,10a,11,12,13,14a,15,15a,16a,17,18,18a,19a,20,20a-docosahydro-2 H-pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxepino[2,3-f]oxepin-12-ol [German] [ACD/IUPAC Name]
(4aR,5aS,6aR,7aS,9aR,10aS,12R,13S,14aR,15aS,16aR,17R,18aS,19aR,20aS)-13-(Hydroxyméthyl)-4,5a,9a,10a,13,17-hexaméthyl-4a,5a,6,6a,7a,8,9,9a,10a,11,12,13,14a,15,15a,16a,17,18,18a,19a,20,20a-docosahydro-2 H-pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2''',3''':5'',6'']pyrano[2'',3'':5',6']pyrano[2',3':6,7]oxépino[2,3-f]oxépin-12-ol [French] [ACD/IUPAC Name]
D-lyxo-L-allo-L-allo-L-Allacos-2-enitol, 1,5:4,8:7,11:10,15:14,19:18,22:21,25-heptaanhydro-2,3,6,9,12,13,16,17,20,23,26-undecadeoxy-25-C-(hydroxymethyl)-3,13-dimethyl-8,18,22-tri-C-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 685.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±6.0 kJ/mol
Flash Point: 368.6±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 602.38
ACD/KOC (pH 5.5): 3399.64
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.38
ACD/KOC (pH 7.4): 3399.64
Polar Surface Area: 105 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 500.6±3.0 cm3

Click to predict properties on the Chemicalize site


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