ChemSpider 2D Image | Elfvingic acid H | C30H42O8

Elfvingic acid H

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID10276026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(5Z)-6-[(1R,3R,3aS,3bR,4aR,6S,7S,9aR)-7-(2-Carboxyethyl)-3-hydroxy-3a,7,9a-trimethyl-9-oxo-6-(prop-1-en-2-yl)-1,2,3,3a,4a,5,6,7,9,9a-decahydrocyclopenta[7,8]naphtho[1,8a-b]oxiren-1-yl]-4-hydroxy-2-methylhept-5-enoic acid
(5Z)-6-[(1R,3R,3aS,3bR,4aR,6S,7S,9aR)-7-(2-Carboxyethyl)-3-hydroxy-6-isopropenyl-3a,7,9a-trimethyl-9-oxo-1,2,3,3a,4a,5,6,7,9,9a-decahydrocyclopenta[7,8]naphtho[1,8a-b]oxiren-1-yl]-4-hydroxy-2-methyl-5 -heptenoic acid [ACD/IUPAC Name]
(5Z)-6-[(1R,3R,3aS,3bR,4aR,6S,7S,9aR)-7-(2-Carboxyethyl)-3-hydroxy-6-isopropenyl-3a,7,9a-trimethyl-9-oxo-1,2,3,3a,4a,5,6,7,9,9a-decahydrocyclopenta[7,8]naphtho[1,8a-b]oxiren-1-yl]-4-hydroxy-2-methyl-5 -heptensäure [German] [ACD/IUPAC Name]
Acide (5Z)-6-[(1R,3R,3aS,3bR,4aR,6S,7S,9aR)-7-(2-carboxyéthyl)-3-hydroxy-6-isopropényl-3a,7,9a-triméthyl-9-oxo-1,2,3,3a,4a,5,6,7,9,9a-décahydrocyclopenta[7,8]naphto[1,8a-b]oxirén-1-yl]-4-hydroxy-2-mét hyl-5-hepténoïque [French] [ACD/IUPAC Name]
Cyclopenta[7,8]naphth[1,8a-b]oxirene-7-propanoic acid, 1-[(1Z)-5-carboxy-3-hydroxy-1-methyl-1-hexen-1-yl]-1,2,3,3a,4a,5,6,7,9,9a-decahydro-3-hydroxy-3a,7,9a-trimethyl-6-(1-methylethenyl)-9-oxo-, (1R,3 R,3aS,3bR,4aR,6S,7S,9aR)- [ACD/Index Name]
cyclopenta[7,8]naphth[1,8a-b]oxirene-7-propanoic acid, 1-[(1Z)-5-carboxy-3-hydroxy-1-methyl-1-hexen-1-yl]-1,2,3,3a,4a,5,6,7,9,9a-decahydro-3-hydroxy-3a,7,9a-trimethyl-6-(1-methylethenyl)-9-oxo-, (1R,3R,3aS,3bR,4aR,6S,7S,9aR)-
Elfvingic acid H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 240.3±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.15
ACD/KOC (pH 5.5): 18.15
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

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