ChemSpider 2D Image | (7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-(3-hydroxy-2-methylpropyl)-9a,13,20,21a,25a,26a,30a-heptamethyl-1,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,20a,21a,22,22a,23a,24,25,25a,26a, 27,27a,28a,29,29a,30a-tetratriacontahydro-18H-pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxep ino[2''',3''':6'',7'']oxepino[2'',3'':5',6'] | C50H74O14

(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-(3-hydroxy-2-methylpropyl)-9a,13,20,21a,25a,26a,30a-heptamethyl-1,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,20a,21a,22,22a,23a,24,25,25a,26a, 27,27a,28a,29,29a,30a-tetratriacontahydro-18H-pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxep ino[2''',3''':6'',7'']oxepino[2'',3'':5',6']

  • Molecular FormulaC50H74O14
  • Average mass899.114 Da
  • Monoisotopic mass898.507874 Da
  • ChemSpider ID17324026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 24 defined stereocentres

More details:

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

(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-(3-hydroxy-2-methylpropyl)-9a,13,20,21a,25a,26a,30a-heptamethyl-1,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,20a,21a,22,22a,23a,24,25,25a,26a, 27,27a,28a,29,29a,30a-tetratriacontahydro-18H-pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxep ino[2''',3''':6'',7'']oxepino[2'',3'':5',6'] [ACD/IUPAC Name]
(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-(3-hydroxy-2-methylpropyl)-9a,13,20,21a,25a,26a,30a-heptamethyl-1,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,20a,21a,22,22a,23a,24,25,25a,26a, 27,27a,28a,29,29a,30a-tetratriacontahydro-18H-pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxep ino[2''',3''':6'',7'']oxepino[2'',3'':5',6'] [German] [ACD/IUPAC Name]
(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-(3-hydroxy-2-méthylpropyl)-9a,13,20,21a,25a,26a,30a-heptaméthyl-1,2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,20a,21a,22,22a,23a,24,25,25a,26a, 27,27a,28a,29,29a,30a-tétratriacontahydro-18H-pyrano[2'',3'':5',6']pyrano[2',3':5,6]pyrano[3,2-b]pyrano[2'''''',3'''''':5''''',6''''']pyrano[2''''',3''''':5'''',6'''']pyrano[2'''',3'''':6''',7''']oxép ino[2''',3''':6'',7'']oxépino[2'',3'':5',6'] [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 231.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 39780.47
ACD/KOC (pH 5.5): 68238.09
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39780.47
ACD/KOC (pH 7.4): 68238.09
Polar Surface Area: 159 Å2
Polarizability: 91.8±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 758.9±3.0 cm3

Click to predict properties on the Chemicalize site


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