Found 78 results

Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | (1S,3R,7R,10S,15S,16S,17S,18S,20S)-15-Hydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.0~1,13~.0~3,7~.0~3,10~.0~16,20~]tricos-12-ene-5,14,19-t rione | C29H34O9

(1S,3R,7R,10S,15S,16S,17S,18S,20S)-15-Hydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricos-12-ene-5,14,19-t rione

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID9773697

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1S,3R,7R,10S,15S,16S,17S,18S,20S)-15-Hydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricos-12-en-5,14,19-tr ion [German] [ACD/IUPAC Name]
(1S,3R,7R,10S,15S,16S,17S,18S,20S)-15-Hydroxy-9,9,18,20-tetramethyl-17-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricos-12-ene-5,14,19-t rione [ACD/IUPAC Name]
(1S,3R,7R,10S,15S,16S,17S,18S,20S)-15-Hydroxy-9,9,18,20-tétraméthyl-17-[(2R)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]-4,8,23-trioxahexacyclo[13.7.1.01,13.03,7.03,10.016,20]tricos-12-ène-5,14,19-t rione [French] [ACD/IUPAC Name]
15H-9,14a-Epoxy-2H-cyclopenta[5',6']cycloocta[1',2':5,6]cyclohepta[1,2-c]furo[3,2-b]furan-2,8,12(5H,9H)-trione, 10-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-3,3a,5a,6,9a,10,11,12a,13,14-decahydro-9- hydroxy-5,5,11,12a-tetramethyl-, (3aR,5aS,9S,9aS,10S,11S,12aS,14aS,15aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL446803/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 788.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.7±6.0 kJ/mol
Flash Point: 263.7±26.4 °C
Index of Refraction: 1.617
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.16
ACD/KOC (pH 5.5): 127.82
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.14
ACD/KOC (pH 7.4): 127.60
Polar Surface Area: 125 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

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