ChemSpider 2D Image | (2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS)-2-(alpha-L-Arabinopyranosyloxy)-1,1,7a,8,12a-pentamethyl-10-oxooctadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl acetate | C33H50O9

(2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS)-2-(α-L-Arabinopyranosyloxy)-1,1,7a,8,12a-pentamethyl-10-oxooctadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl acetate

  • Molecular FormulaC33H50O9
  • Average mass590.745 Da
  • Monoisotopic mass590.345459 Da
  • ChemSpider ID552686

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS)-2-(α-L-Arabinopyranosyloxy)-1,1,7a,8,12a-pentamethyl-10-oxooctadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl acetate [ACD/IUPAC Name]
(2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS)-2-(α-L-Arabinopyranosyloxy)-1,1,7a,8,12a-pentamethyl-10-oxooctadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl-acetat [German] [ACD/IUPAC Name]
5H-Cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H)-one, 7-(acetyloxy)-2-(α-L-arabinopyranosyloxy)hexadecahydro-1,1,7a,8,12a-pentamethyl-, (2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS )- [ACD/Index Name]
Acétate de (2S,4aR,5aR,7R,7aR,7bR,8R,11aS,12aS,12bS,14aS)-2-(α-L-arabinopyranosyloxy)-1,1,7a,8,12a-pentaméthyl-10-oxooctadécahydrocyclopropa[1',8a']naphto[2',1':4,5]indéno[2,1-b]pyran-7-yle [French] [ACD/IUPAC Name]
(2R,4aS,5aS,7S,7aS,7bS,8S,11aR,12aR)-1,1,7a,8,12a-pentamethyl-10-oxo-2-{[(2R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl rel-
12β-Acetoxy-3β-O-D-xylopyranosyloxy-24,25,26,27-tetranor-9,19-cyclolanost-16,23-lactone
5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H)-one, 7-(acetyloxy)hexadecahydro-1,1,7a,8,12a-pentamethyl-2-[(1S)-pentopyranosyloxy]-, (2S,4aR,5aR,7R,7aR,7bR,11aS,12aS)-
cimilactone A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 221.4±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 761.98
ACD/KOC (pH 5.5): 4022.49
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 761.97
ACD/KOC (pH 7.4): 4022.47
Polar Surface Area: 132 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 454.0±5.0 cm3

Click to predict properties on the Chemicalize site


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