Found 18 results

Search term: MF = 'C_{34}H_{41}NO_{10}'
ChemSpider 2D Image | (3S,4R,6S,6aS,12R,12bS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-6-yl 4-pentenoate | C34H41NO10

(3S,4R,6S,6aS,12R,12bS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-6-yl 4-pentenoate

  • Molecular FormulaC34H41NO10
  • Average mass623.690 Da
  • Monoisotopic mass623.273071 Da
  • ChemSpider ID9767340

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3S,4R,6S,6aS,12R,12bS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-6-yl 4-pentenoate [ACD/IUPAC Name]
(3S,4R,6S,6aS,12R,12bS)-3-Acetoxy-4-(acetoxymethyl)-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-6-yl-4-pentenoat [German] [ACD/IUPAC Name]
4-Penténoate de (3S,4R,6S,6aS,12R,12bS)-3-acétoxy-4-(acétoxyméthyl)-12-hydroxy-4,6a,12b-triméthyl-11-oxo-9-(3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[4,3-b]chromén-6-yle [French] [ACD/IUPAC Name]
4-Pentenoic acid, (3S,4R,6S,6aS,12R,12bS)-3-(acetyloxy)-4-[(acetyloxy)methyl]-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-(3-pyridinyl)-2H,11H-naphtho[2,1-b]pyrano[3,4- e]pyran-6-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 160.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 971.39
ACD/KOC (pH 5.5): 4435.94
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1264.09
ACD/KOC (pH 7.4): 5772.56
Polar Surface Area: 148 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 479.2±5.0 cm3

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