Deprecated ChemSpider Record

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ChemSpider 2D Image | 2-[(1-Hydroxy-9a,13,20,21a,25a,26a,30a-heptamethyl-18-oxo-2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,18,20a,21a,22,22a,23a,24,25,25a,26a,27,27a,28a,29,29a,30a-tetratriacontahydro-1H-pyran o[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'':5',6']pyrano[ 2',3':5,6]pyrano[2,3-g]oxocin-3-yl)methyl]acrylaldehyde | C50H70O14

2-[(1-Hydroxy-9a,13,20,21a,25a,26a,30a-heptamethyl-18-oxo-2,3,4a,5,5a,6a,9,9a,10a,11,11a,12a,13,14,14a,15a,16,16a,18,20a,21a,22,22a,23a,24,25,25a,26a,27,27a,28a,29,29a,30a-tetratriacontahydro-1H-pyran o[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'':5',6']pyrano[ 2',3':5,6]pyrano[2,3-g]oxocin-3-yl)methyl]acrylaldehyde

  • Molecular FormulaC50H70O14
  • Average mass895.082 Da
  • Monoisotopic mass894.476563 Da
  • ChemSpider ID2338

More details:

Date of deprecation: 14:11, Jul 31, 2013
Reason for deprecation: Deprecate record: Bad depiction of Brevetoxin B, missing all stereochem

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

Density: 1.2±0.0 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.522
Molar Refractivity: 229.8±0.0 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2475.15
ACD/KOC (pH 5.5): 9348.36
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2475.14
ACD/KOC (pH 7.4): 9348.35
Polar Surface Area: 156 Å2
Polarizability: 91.1±0.0 10-24cm3
Surface Tension: 37.6±0.0 dyne/cm
Molar Volume: 753.2±0.0 cm3

Click to predict properties on the Chemicalize site


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