ChemSpider 2D Image | (4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 4,6-O-isopropylidene-alpha-D-glucopyranoside | C30H48O8

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 4,6-O-isopropylidene-α-D-glucopyranoside

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID88297825

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl 4,6-O-isopropylidene-α-D-glucopyranoside [ACD/IUPAC Name]
(4R,5R,6R,6aS,9S,9aE,10aR)-5-Hydroxy-3-isopropyl-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl-4,6-O-isopropyliden-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-O-Isopropylidène-α-D-glucopyranoside de (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-3-isopropyl-9-(méthoxyméthyl)-6,10a-diméthyl-1,2,4,5,6,6a,7,8,9,10a-décahydrodicyclopenta[a,d][8]annulén-4-yle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (4R,5R,6R,6aS,9S,9aE,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta[a,d]cycloocten-4-yl 4,6-O-(1-methylethylid ene)- [ACD/Index Name]
(4aR,6S,7R,8R,8aS)-6-[[(1E,3R,8R,9R,10R,11S,14S)-9-hydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
ISIR-005
T32200

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 351.8±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1011.31
ACD/KOC (pH 5.5): 4926.02
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1011.30
ACD/KOC (pH 7.4): 4925.98
Polar Surface Area: 107 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 440.8±5.0 cm3

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