ChemSpider 2D Image | (7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-[2-(hydroxymethyl)-2-propen-1-yl]-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,24,25,2 5a,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' '']oxepino[2''',3''':6'',7'']oxepino[2'',3'' | C50H72O14

(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-[2-(hydroxymethyl)-2-propen-1-yl]-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,24,25,2 5a,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' '']oxepino[2''',3''':6'',7'']oxepino[2'',3''

  • Molecular FormulaC50H72O14
  • Average mass897.098 Da
  • Monoisotopic mass896.492188 Da
  • ChemSpider ID25022981

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 23 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-[2-(hydroxymethyl)-2-propen-1-yl]-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,24,25,2 5a,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' '']oxepino[2''',3''':6'',7'']oxepino[2'',3'' [ACD/IUPAC Name]
(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-[2-(hydroxymethyl)-2-propen-1-yl]-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,24,25,2 5a,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' '']oxepino[2''',3''':6'',7'']oxepino[2'',3'' [German] [ACD/IUPAC Name]
(7Z,9aR,13R,21aS,25aR,26aS,30aS)-1-Hydroxy-3-[2-(hydroxyméthyl)-2-propén-1-yl]-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,24,25,2 5a,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' '']oxépino[2''',3''':6'',7'']oxépino[2'',3'' [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: 1.526
Molar Refractivity: 231.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.36
ACD/BCF (pH 5.5): 39907.21
ACD/KOC (pH 5.5): 68393.65
ACD/LogD (pH 7.4): 6.36
ACD/BCF (pH 7.4): 39907.21
ACD/KOC (pH 7.4): 68393.65
Polar Surface Area: 159 Å2
Polarizability: 91.6±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 753.4±3.0 cm3

Click to predict properties on the Chemicalize site


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