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ChemSpider 2D Image | 9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1~1,16~.1~4,8~.0~2,13~.0~12,26~.0~20,25~]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetate | C29H22O11

9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetate

  • Molecular FormulaC29H22O11
  • Average mass546.478 Da
  • Monoisotopic mass546.116211 Da
  • ChemSpider ID4526566

More details:

Date of deprecation: 16:24, Jan 4, 2017
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

7H-8,15b-Methano-1H,3H,12H-pyrano[3'',4'',5'':4',5']naphtho[1',2':6,7]cyclohepta[1,2,3-de]-2-benzopyran-3,7,12,15(8H)-tetrone, 16-(acetyloxy)-8a,15a-dihydro-4,11-dihydroxy-8a-methoxy-6,9-dimethyl- [ACD/Index Name]
9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl acetate [ACD/IUPAC Name]
9,19-Dihydroxy-13-methoxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaen-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 9,19-dihydroxy-13-méthoxy-11,17-diméthyl-3,7,15,21-tétraoxo-6,22-dioxaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-4,8(26),9,11,16(25),17,19-heptaén-24-yle [French] [ACD/IUPAC Name]
15H,8,15a-Methano-3H, 13H-benzo[de]cycloocta[1,2-g:3,4,5d'e']bis[2]benzopyran-3,9,13, 16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4, 12-dihydroxy-6b-methoxy-6,10-dimethyl-
15H-8,15a-Methano-3H, 13H-benzo[de]cycloocta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,9,13, 16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4, 12-dihydroxy-6b-methoxy-6,10-dimethyl-
15H-8,15a-Methano-3H,13H-benzo(de)cycloocta(1,2-g:3,4,5-d'e')bis(2)benzopyran-3,9,13,16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-
15H-8,15a-Methano-3H,13H-benzo[de]cycloocta[1,2-g:3,4,5-d'e']bis[2]benzopyran-3,9,13,16-tetrone, 17-(acetyloxy)-6b,7,8,15b-tetrahydro-4,12-dihydroxy-6b-methoxy-6,10-dimethyl-
1732-37-2 [RN]
Duclauxin

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

NSC258308 [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 891.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.9±3.0 kJ/mol
Flash Point: 302.2±27.8 °C
Index of Refraction: 1.726
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 644.34
ACD/KOC (pH 5.5): 3465.48
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 51.62
ACD/KOC (pH 7.4): 277.61
Polar Surface Area: 163 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 89.9±5.0 dyne/cm
Molar Volume: 327.5±5.0 cm3

Click to predict properties on the Chemicalize site


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