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ChemSpider 2D Image | 10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione | C27H33N3O7

10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione

  • Molecular FormulaC27H33N3O7
  • Average mass511.567 Da
  • Monoisotopic mass511.231842 Da
  • ChemSpider ID94649

More details:

Date of deprecation: 15:06, Aug 18, 2015
Reason for deprecation: Deprecate record: 5 undefined sterocentres

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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

10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluoren-11,15(2H,13H)-dion [German] [ACD/IUPAC Name]
10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione [ACD/IUPAC Name]
10,10a-Dihydroxy-7-méthoxy-2,2-diméthyl-5-(2-méthyl-1-propén-1-yl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[1,2,3-lm]indéno[5,6-b]fluorène-11,15(2H,13H)-dione [French] [ACD/IUPAC Name]
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)- [ACD/Index Name]
(5R-(5α,10 α,10aα,14aα,15bα))-1,10,10a,14,14a,15b-Hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-5H,12H-3,4-dioxa-5a,11a,15a-triaza cyclooct (1m) indeno (5,6-b)fluorene-11,15(2H,13H)-dione
10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-1,10,10a,14,14a,15b-hexahydro-12H-3,4-dioxa-5a,11a,15a-triazacycloocta[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione
10,10A-DIHYDROXY-7-METHOXY-2,2-DIMETHYL-5-(2-METHYLPROP-1-EN-1-YL)-1,10,10A,14,14A,15B-HEXAHYDRO-12H-3,4-DIOXA-5A,11A,15A-TRIAZACYCLOOCTA[1,2,3-LM]INDENO[5,6-B]FLUORENE-11,15(2H,13H)-DIONE
12771-72-1 [RN]
13041-39-9 [RN]
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct(lm)indeno(5,6-b)fluorene-11,15(2H,13H)-dione, 1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propenyl)-, (5R,10S,10aR,14aS,15bS)-
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 400.3±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 131.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.90
ACD/KOC (pH 5.5): 727.61
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.86
ACD/KOC (pH 7.4): 727.13
Polar Surface Area: 114 Å2
Polarizability: 52.0±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

Click to predict properties on the Chemicalize site


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