ChemSpider 2D Image | (1S,3R,4S,4aR,8aR)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl 4-O-(6-O-acetyl-beta-D-glucopyranosyl)-6-deoxy-alpha-L-mannopyranoside | C34H56O12

(1S,3R,4S,4aR,8aR)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranoside

  • Molecular FormulaC34H56O12
  • Average mass656.801 Da
  • Monoisotopic mass656.377197 Da
  • ChemSpider ID17267206

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,3R,4S,4aR,8aR)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranoside [ACD/IUPAC Name]
(1S,3R,4S,4aR,8aR)-4-[(3E)-5-Hydroxy-3-methyl-3-penten-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalinyl-4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-desoxy-α-L-mannopyranosid [German] [ACD/IUPAC Name]
(1S,3R,4S,4aR,8aR)-4-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-α-L-mannopyranoside
4-O-(6-O-Acétyl-β-D-glucopyranosyl)-6-désoxy-α-L-mannopyranoside de (1S,3R,4S,4aR,8aR)-4-[(3E)-5-hydroxy-3-méthyl-3-pentén-1-yl]-3,4,8,8a-tétraméthyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphtalényle [French] [ACD/IUPAC Name]
α-L-Mannopyranoside, (1S,3R,4S,4aR,8aR)-1,2,3,4,4a,5,6,8a-octahydro-4-[(3E)-5-hydroxy-3-methyl-3-penten-1-yl]-3,4,8,8a-tetramethyl-1-naphthalenyl 4-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy- [ACD/Index Name]
6-O-[6-O-acetyl-β-d-glucopyranos-yl-(1-->4)-α-l-rhamnopyranosyl]-(13E)-cleroda-3,13-dien-15-ol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.1±6.0 kJ/mol
Flash Point: 232.1±26.4 °C
Index of Refraction: 1.570
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 4
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.38
ACD/KOC (pH 5.5): 2245.09
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.38
ACD/KOC (pH 7.4): 2245.05
Polar Surface Area: 185 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 513.5±5.0 cm3

Click to predict properties on the Chemicalize site


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