Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | (1a'R,2'R,3aR,3a'S,4aR,6R,6a'R,7a'R,8aR,9S,10aR)-7-Acetyl-8a-hydroxy-2',9-dimethyl-3-methylene-1a'-[(1E)-3-oxo-1-buten-1-yl]-2',3,3',3a,3a',4,4a,6a',7',7a',8a,9,10,10a-tetradecahydro-1a'H,2H-spiro[fur o[2',3':5,6]cyclohepta[1,2-b]pyran-6,6'-oxireno[4,5]cyclohepta[1,2-b]furan]-2,5'-dione | C29H34O9

(1a'R,2'R,3aR,3a'S,4aR,6R,6a'R,7a'R,8aR,9S,10aR)-7-Acetyl-8a-hydroxy-2',9-dimethyl-3-methylene-1a'-[(1E)-3-oxo-1-buten-1-yl]-2',3,3',3a,3a',4,4a,6a',7',7a',8a,9,10,10a-tetradecahydro-1a'H,2H-spiro[fur o[2',3':5,6]cyclohepta[1,2-b]pyran-6,6'-oxireno[4,5]cyclohepta[1,2-b]furan]-2,5'-dione

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID30815225

  • 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

(1a'R,2'R,3aR,3a'S,4aR,6R,6a'R,7a'R,8aR,9S,10aR)-7-Acetyl-8a-hydroxy-2',9-dimethyl-3-methylene-1a'-[(1E)-3-oxo-1-buten-1-yl]-2',3,3',3a,3a',4,4a,6a',7',7a',8a,9,10,10a-tetradecahydro-1a'H,2H-spiro[fur o[2',3':5,6]cyclohepta[1,2-b]pyran-6,6'-oxireno[4,5]cyclohepta[1,2-b]furan]-2,5'-dione [ACD/IUPAC Name]
Spiro[furo[2',3':5,6]cyclohepta[1,2-b]pyran-6(2H),6'(5'H)-[2H]oxireno[4,5]cyclohepta[1,2-b]furan]-2,5'-dione, 7-acetyl-1'a,3,3',3a,3'a,4,4a,6'a,7',7'a,8a,9,10,10a-tetradecahydro-8a-hydroxy-2',9-dimeth yl-3-methylene-1'a-[(1E)-3-oxo-1-buten-1-yl]-, (1a'R,2'R,3aR,3a'S,4aR,6R,6a'R,7a'R,8aR,9S,10aR)- [ACD/Index Name]
130430-97-6 [RN]
Pungiolide A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 256.2±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.71
ACD/KOC (pH 5.5): 150.22
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 150.22
Polar Surface Area: 129 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 386.6±5.0 cm3

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