Found 5 results

Search term: MF = 'C_{46}H_{71}NO_{10}'
ChemSpider 2D Image | (1R,9S,14E,16S,19R,21S,22E,24E,26E,28R,30S,33R)-1,16-Dihydroxy-12-[(2R)-1-(trans-4-hydroxycyclohexyl)-2-propanyl]-28-methoxy-15,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.0~4,9~]tetratri aconta-14,22,24,26-tetraene-2,3,10,18-tetrone | C46H71NO10

(1R,9S,14E,16S,19R,21S,22E,24E,26E,28R,30S,33R)-1,16-Dihydroxy-12-[(2R)-1-(trans-4-hydroxycyclohexyl)-2-propanyl]-28-methoxy-15,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.04,9]tetratri aconta-14,22,24,26-tetraene-2,3,10,18-tetrone

  • Molecular FormulaC46H71NO10
  • Average mass798.057 Da
  • Monoisotopic mass797.507813 Da
  • ChemSpider ID129304784

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1R,9S,14E,16S,19R,21S,22E,24E,26E,28R,30S,33R)-1,16-Dihydroxy-12-[(2R)-1-(trans-4-hydroxycyclohexyl)-2-propanyl]-28-methoxy-15,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.04,9]tetratri aconta-14,22,24,26-tetraen-2,3,10,18-tetron [German] [ACD/IUPAC Name]
(1R,9S,14E,16S,19R,21S,22E,24E,26E,28R,30S,33R)-1,16-Dihydroxy-12-[(2R)-1-(trans-4-hydroxycyclohexyl)-2-propanyl]-28-methoxy-15,19,21,27,33-pentamethyl-11,34-dioxa-4-azatricyclo[28.3.1.04,9]tetratri aconta-14,22,24,26-tetraene-2,3,10,18-tetrone [ACD/IUPAC Name]
(1R,9S,14E,16S,19R,21S,22E,24E,26E,28R,30S,33R)-1,16-Dihydroxy-12-[(2R)-1-(trans-4-hydroxycyclohexyl)-2-propanyl]-28-méthoxy-15,19,21,27,33-pentaméthyl-11,34-dioxa-4-azatricyclo[28.3.1.04,9]tétratri aconta-14,22,24,26-tétraène-2,3,10,18-tétrone [French] [ACD/IUPAC Name]
21,25-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclononacosine-1,9,26,27(4H,29H)-tetrone, 7,8,10,11,12,19,20,21,22,23,24,25,30,31,32,32a-hexadecahydro-7,25-dihydroxy-3-[(1R)-2-(trans-4-hydroxycyclohexyl)-1-me thylethyl]-19-methoxy-6,10,12,18,24-pentamethyl-, (5E,7S,10R,12S,13E,15E,17E,19R,21S,24R,25R,32aS)- [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: 906.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 149.6±6.0 kJ/mol
Flash Point: 502.1±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: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4461.81
ACD/KOC (pH 5.5): 14253.17
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4457.38
ACD/KOC (pH 7.4): 14239.00
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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