Found 1 result

Search term: 32674760 (Found by CSID)
ChemSpider 2D Image | (1S,5R,10S,10aR,14aS,15bR)-1,10a-Dihydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-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 | C32H41N3O8

(1S,5R,10S,10aR,14aS,15bR)-1,10a-Dihydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-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 FormulaC32H41N3O8
  • Average mass595.683 Da
  • Monoisotopic mass595.289368 Da
  • ChemSpider ID32674760

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,5R,10S,10aR,14aS,15bR)-1,10a-Dihydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-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]
(1S,5R,10S,10aR,14aS,15bR)-1,10a-Dihydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-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]
(1S,5R,10S,10aR,14aS,15bR)-1,10a-Dihydroxy-7-méthoxy-2,2-diméthyl-10-[(3-méthyl-2-butén-1-yl)oxy]-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-1,10a-dihydroxy-7-methoxy-2,2-dimethyl-10-[(3-methyl-2-buten-1-yl)oxy]-5-(2-methy l-1-propen-1-yl)-, (1S,5R,10S,10aR,14aS,15bR)- [ACD/Index Name]
13-O-prenyl-26-hydroxyverruculogen

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.3±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 155.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1336.15
ACD/KOC (pH 5.5): 6012.89
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1334.68
ACD/KOC (pH 7.4): 6006.29
Polar Surface Area: 123 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 427.7±7.0 cm3

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