ChemSpider 2D Image | Carnosifloside I | C42H68O13

Carnosifloside I

  • Molecular FormulaC42H68O13
  • Average mass780.982 Da
  • Monoisotopic mass780.466003 Da
  • ChemSpider ID10128214

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1S,4R,9β,24E)-1-Hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholesta-5,24-dien-26-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,24E)-1-Hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholesta-5,24-dien-26-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,4R,9β,24E)-1-hydroxy-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sécocholesta-5,24-dién-26-yle [French] [ACD/IUPAC Name]
Carnosifloside I
Estr-5-en-11-one, 17-[(1R,4E)-6-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,5-dimethyl-4-hexen-1-yl]-3-hydroxy-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
109985-90-2 [RN]
19-NORLANOSTA-5,24-DIEN-11-ONE,26-[(6-O-B-D-GLUCOPYRANOSYL-B-D-GLUCOPYRANOSYL)OXY]-3-HYDROXY-9-METHYL-,(3B,9B,10A,24E)-

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

C08790 [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: 894.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.7±6.0 kJ/mol
Flash Point: 262.3±27.8 °C
Index of Refraction: 1.598
Molar Refractivity: 202.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.45
ACD/KOC (pH 5.5): 1885.92
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.45
ACD/KOC (pH 7.4): 1885.89
Polar Surface Area: 216 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 594.4±5.0 cm3

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