Found 33 results

Search term: C33H49NO7 (Found by molecular formula)
ChemSpider 2D Image | Veratrosine | C33H49NO7

Veratrosine

  • Molecular FormulaC33H49NO7
  • Average mass571.745 Da
  • Monoisotopic mass571.350891 Da
  • ChemSpider ID19953329

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3β,23R)-23-Hydroxy-14,15,16,17-tetradehydroveratraman-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,23R)-23-Hydroxy-14,15,16,17-tetradehydroveratrumaman-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
475-00-3 [RN]
Veratrosine
β-D-Glucopyranoside de (3β,23R)-23-hydroxy-14,15,16,17-tétradéhydrovératraman-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3S,6aR,11aS,11bR)-2,3,4,6,6a,11,11a,11b-octahydro-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methyl-2-piperidinyl]ethyl]-10,11b-dimethyl-1H-benzo[a]fluoren-3-yl [ACD/Index Name]
β-D-Glucopyranoside, (3β,23β)-14,15,16,17-tetradehydro-23-hydroxyveratraman-3-yl
(2R,3R,4S,5S,6R)-2-[[(3S,6aR,11aS,11bR)-9-[(1S)-1-[(2S,3R,5S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[(6aR,11aS)-9-[(1S)-1-[(2S)-3-hydroxy-5-methylpiperidin-2-yl]ethyl]-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-21-00-02386 (Beilstein Handbook Reference) [Beilstein]

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

4IU7YM4FUK [DBID]
UNII:4IU7YM4FUK [DBID]
UNII-4IU7YM4FUK [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 401.7±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.79
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 2.87
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 132 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 440.6±5.0 cm3

Click to predict properties on the Chemicalize site


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