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Search term: UXPPKIOUXFFKDI-QGMVIAOPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Cruentaren A | C33H51NO8

Cruentaren A

  • Molecular FormulaC33H51NO8
  • Average mass589.760 Da
  • Monoisotopic mass589.361450 Da
  • ChemSpider ID17252301

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-Dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyl-2-octen-1-yl}-3-hydroxy-2-methylhexanamid [German] [ACD/IUPAC Name]
(2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-Dihydroxy-12-methoxy-8-methyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyl-2-octen-1-yl}-3-hydroxy-2-methylhexanamide [ACD/IUPAC Name]
(2R,3S)-N-{(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-9,14-Dihydroxy-12-méthoxy-8-méthyl-1-oxo-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclododécin-3-yl]-6-hydroxy-5-méthyl-2-octén-1-yl}-3-hydroxy-2-méthylhexanamide [French] [ACD/IUPAC Name]
Cruentaren A
Hexanamide, N-[(2Z,5R,6R,7S)-7-[(3S,5Z,8S,9R)-3,4,7,8,9,10-hexahydro-9,14-dihydroxy-12-methoxy-8-methyl-1-oxo-1H-2-benzoxacyclododecin-3-yl]-6-hydroxy-5-methyl-2-octen-1-yl]-3-hydroxy-2-methyl-, (2R,3 S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 815.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.3±3.0 kJ/mol
Flash Point: 447.1±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 163.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1163.58
ACD/KOC (pH 5.5): 5433.47
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 707.69
ACD/KOC (pH 7.4): 3304.66
Polar Surface Area: 146 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 525.7±3.0 cm3

Click to predict properties on the Chemicalize site


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