ChemSpider 2D Image | 4'-Hydroxy-2',2',4',6'-tetramethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl 2-O-acetyl-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C32H40O11

4'-Hydroxy-2',2',4',6'-tetramethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl 2-O-acetyl-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC32H40O11
  • Average mass600.653 Da
  • Monoisotopic mass600.257080 Da
  • ChemSpider ID4944346

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres

More details:

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

2-O-Acétyl-4-O-[(2Z)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 4'-hydroxy-2',2',4',6'-tétraméthyl-3'-oxo-2',3',3a',4'-tétrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yle [French] [ACD/IUPAC Name]
4'-Hydroxy-2',2',4',6'-tetramethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl 2-O-acetyl-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4'-Hydroxy-2',2',4',6'-tetramethyl-3'-oxo-2',3',3a',4'-tetrahydrospiro[cyclopropane-1,5'-inden]-7a'(1'H)-yl-2-O-acetyl-4-O-[(2Z)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Spiro[cyclopropane-1,5'-[5H]inden]-3'(2'H)-one, 7'a-[[2-O-acetyl-4-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',2',4',6'-tetrameth yl- [ACD/Index Name]
125676-80-4 [RN]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4''-ester with 7'a-((2-O-acetyl-β-D-glucopyranosyl)oxy)-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',2',4',6'-tetramethylspiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one, (3'aR-(3'aα,4'α,7'aalpha(Z)))-
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 4''-ester with 7'a-((2-O-acetyl-β-D-glucopyranosyl)oxy)-1',3'a,4',7'a-tetrahydro-4'-hydroxy-2',2',4',6'-tetramethylspiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one, (3'aR-(3'a-α,4'-α,7'a-α(Z)))-
Hypoloside B
SPIRO[CYCLOPROPANE-1,5'-[5H]INDEN]-3'(2'H)-ONE,7'A-[[2-O-ACETYL-4-O-[(2Z)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL]-B-D-GLUCOPYRANOSYL]OXY]-1',3'A,4',7'A-TETRAHYDRO-4'-HYDROXY-2',2',4',6'-TETRAMETHYL-,(3'AR,4'R,7'AR)- (9CI)

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

CCRIS 3537 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 760.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 241.3±26.4 °C
Index of Refraction: 1.620
Molar Refractivity: 151.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.38
ACD/KOC (pH 5.5): 1142.99
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.68
ACD/KOC (pH 7.4): 1136.94
Polar Surface Area: 169 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

Click to predict properties on the Chemicalize site


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