Found 1 result

Search term: 71048417 (Found by CSID)
ChemSpider 2D Image | (1R,4R,5S,16S,19S,23R,24S)-10-Chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0~1,20~.0~4,19~.0~5,16~.0~6,14~.0~8,13~]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate | C29H32ClNO6

(1R,4R,5S,16S,19S,23R,24S)-10-Chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate

  • Molecular FormulaC29H32ClNO6
  • Average mass526.021 Da
  • Monoisotopic mass525.191833 Da
  • ChemSpider ID71048417

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,4R,5S,16S,19S,23R,24S)-10-Chlor-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl-acetat [German] [ACD/IUPAC Name]
(1R,4R,5S,16S,19S,23R,24S)-10-Chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate [ACD/IUPAC Name]
4,16a-Epoxy-16aH-1-benzoxocino[7',8':6,7]indeno[1,2-b]indol-5(2H)-one, 3-(acetyloxy)-12-chloro-3,4,6b,7,8,8a,9,14,14b,14c,15,16-dodecahydro-6b-hydroxy-3,14b,14c-trimethyl-, (3S,4R,6bS,8aS,14bS,14cR,16 aR)- [ACD/Index Name]
Acétate de (1R,4R,5S,16S,19S,23R,24S)-10-chloro-19-hydroxy-4,5,24-triméthyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaén-24-yle [French] [ACD/IUPAC Name]
Asperindole A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 136.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14300.47
ACD/KOC (pH 5.5): 32808.61
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14300.45
ACD/KOC (pH 7.4): 32808.58
Polar Surface Area: 98 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 367.2±5.0 cm3

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