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ChemSpider 2D Image | 4b-Hydroxy-2-(2-hydroxy-2-propanyl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indo l-3-yl acetate | C39H51NO6

4b-Hydroxy-2-(2-hydroxy-2-propanyl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indo l-3-yl acetate

  • Molecular FormulaC39H51NO6
  • Average mass629.825 Da
  • Monoisotopic mass629.371643 Da
  • ChemSpider ID8569675

More details:

Date of deprecation: 14:56, Aug 12, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

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

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

4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopent[1,2-f]indole-3,4b-diol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2-(1-hydroxy-1-methylethyl)-10,10,12,12,15b,15c-h examethyl-, 3-acetate [ACD/Index Name]
4b-Hydroxy-2-(2-hydroxy-2-propanyl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indo l-3-yl acetate [ACD/IUPAC Name]
4b-Hydroxy-2-(2-hydroxy-2-propanyl)-10,10,12,12,15b,15c-hexamethyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopenta[1,2-f]indo l-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 4b-hydroxy-2-(2-hydroxy-2-propanyl)-10,10,12,12,15b,15c-hexaméthyl-3,4b,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadécahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]pyrano[4',3':3,4]cyclopenta [1,2-f]indol-3-yle [French] [ACD/IUPAC Name]
12-hydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.0²,¹⁵.0³,¹².0⁶,¹¹.0¹⁸,³⁰.0²⁰,²⁸.0²²,²⁷]hentriaconta-1(17),10,18,20(28),26,29-hexaen-9-yl acetate
Janthitrem G

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.3±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 177.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 135592.31
ACD/KOC (pH 5.5): 164146.23
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 135592.75
ACD/KOC (pH 7.4): 164146.78
Polar Surface Area: 101 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 493.1±5.0 cm3

Click to predict properties on the Chemicalize site


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