Found 5 results

Search term: MF = 'C_{46}H_{71}NO_{10}'
ChemSpider 2D Image | (1R,9S,12S,15R,17S,18E,20E,22E,24S,26S,29R)-1-Hydroxy-12-[(5S,6R)-5-hydroxy-7-(trans-4-hydroxycyclohexyl)-6-methyl-2-hepten-2-yl]-24-methoxy-15,17,23,29-tetramethyl-11,30-dioxa-4-azatricyclo[24.3.1.0~ 4,9~]triaconta-18,20,22-triene-2,3,10,14-tetrone | C46H71NO10

(1R,9S,12S,15R,17S,18E,20E,22E,24S,26S,29R)-1-Hydroxy-12-[(5S,6R)-5-hydroxy-7-(trans-4-hydroxycyclohexyl)-6-methyl-2-hepten-2-yl]-24-methoxy-15,17,23,29-tetramethyl-11,30-dioxa-4-azatricyclo[24.3.1.0 4,9]triaconta-18,20,22-triene-2,3,10,14-tetrone

  • Molecular FormulaC46H71NO10
  • Average mass798.057 Da
  • Monoisotopic mass797.507813 Da
  • ChemSpider ID129141467

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,9S,12S,15R,17S,18E,20E,22E,24S,26S,29R)-1-Hydroxy-12-[(5S,6R)-5-hydroxy-7-(trans-4-hydroxycyclohexyl)-6-methyl-2-hepten-2-yl]-24-methoxy-15,17,23,29-tetramethyl-11,30-dioxa-4-azatricyclo[24.3.1.0 4,9]triaconta-18,20,22-trien-2,3,10,14-tetron [German] [ACD/IUPAC Name]
(1R,9S,12S,15R,17S,18E,20E,22E,24S,26S,29R)-1-Hydroxy-12-[(5S,6R)-5-hydroxy-7-(trans-4-hydroxycyclohexyl)-6-methyl-2-hepten-2-yl]-24-methoxy-15,17,23,29-tetramethyl-11,30-dioxa-4-azatricyclo[24.3.1.0 4,9]triaconta-18,20,22-triene-2,3,10,14-tetrone [ACD/IUPAC Name]
(1R,9S,12S,15R,17S,18E,20E,22E,24S,26S,29R)-1-Hydroxy-12-[(5S,6R)-5-hydroxy-7-(trans-4-hydroxycyclohexyl)-6-méthyl-2-heptén-2-yl]-24-méthoxy-15,17,23,29-tétraméthyl-11,30-dioxa-4-azatricyclo[24.3.1.0 4,9]triaconta-18,20,22-triène-2,3,10,14-tétrone [French] [ACD/IUPAC Name]
17,21-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclopentacosine-1,5,22,23(4H,25H)-tetrone, 6,7,8,15,16,17,18,19,20,21,26,27,28,28a-tetradecahydro-21-hydroxy-3-[(4S,5R)-4-hydroxy-6-(trans-4-hydroxycyclohexyl)- 1,5-dimethyl-1-hexen-1-yl]-15-methoxy-6,8,14,20-tetramethyl-, (3S,6R,8S,9E,11E,13E,15S,17S,20R,21R,28aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 907.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.8±6.0 kJ/mol
Flash Point: 502.8±37.1 °C
Index of Refraction: 1.557
Molar Refractivity: 220.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4048.00
ACD/KOC (pH 5.5): 13293.96
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4043.93
ACD/KOC (pH 7.4): 13280.61
Polar Surface Area: 160 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 683.5±5.0 cm3

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