Found 18 results

Search term: MF = 'C_{34}H_{41}NO_{10}'
ChemSpider 2D Image | (3S,4R,4aR,6S,6aS,12R,12aS,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 (2E)-2-p entenoate | C34H41NO10

(3S,4R,4aR,6S,6aS,12R,12aS,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 (2E)-2-p entenoate

  • Molecular FormulaC34H41NO10
  • Average mass623.690 Da
  • Monoisotopic mass623.273071 Da
  • ChemSpider ID8275995

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2E)-2-Penténoate de (3S,4R,4aR,6S,6aS,12R,12aS,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]
(3S,4R,4aR,6S,6aS,12R,12aS,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 (2E)-2-p entenoate [ACD/IUPAC Name]
(3S,4R,4aR,6S,6aS,12R,12aS,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-(2E)-2-p entenoat [German] [ACD/IUPAC Name]
2-Pentenoic acid, (3S,4R,4aR,6S,6aS,12R,12aS,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]py rano[3,4-e]pyran-6-yl ester, (2E)- [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: 720.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.4±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 160.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1192.36
ACD/KOC (pH 5.5): 5136.87
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1551.63
ACD/KOC (pH 7.4): 6684.69
Polar Surface Area: 148 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 477.2±5.0 cm3

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