ChemSpider 2D Image | (2Z,4E)-6-[(5S,6S,9Z,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]dec-2-yl]-2-(4-methylpent-3-en-1-yl)hepta-2,4,6-trien-1-yl acetate | C32H48O6

(2Z,4E)-6-[(5S,6S,9Z,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]dec-2-yl]-2-(4-methylpent-3-en-1-yl)hepta-2,4,6-trien-1-yl acetate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID8068831

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2Z,4E)-6-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxo-2-propanyliden)spiro[4.5]dec-2-yl]-2-(4-methyl-3-penten-1-yl)-2,4,6-heptatrien-1-yl-acetat [German] [ACD/IUPAC Name]
(2Z,4E)-6-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxo-2-propanylidene)spiro[4.5]dec-2-yl]-2-(4-methyl-3-penten-1-yl)-2,4,6-heptatrien-1-yl acetate [ACD/IUPAC Name]
(2Z,4E)-6-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]dec-2-yl]-2-(4-methylpent-3-en-1-yl)hepta-2,4,6-trien-1-yl acetate
(2Z,4E)-6-[(5S,6S,9Z,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-9-(1-oxopropan-2-ylidene)spiro[4.5]dec-2-yl]-2-(4-methylpent-3-en-1-yl)hepta-2,4,6-trien-1-yl acetate
Acétate de (2Z,4E)-6-[(1R,2S,5S,6S,9Z,10R)-1,6-dihydroxy-10-(3-hydroxypropyl)-6-méthyl-9-(1-oxo-2-propanylidène)spiro[4.5]déc-2-yl]-2-(4-méthyl-3-pentén-1-yl)-2,4,6-heptatrién-1-yle [French] [ACD/IUPAC Name]
Propanal, 2-[(1R,2S,5S,6R,10S)-2-[(2E,4Z)-5-[(acetyloxy)methyl]-9-methyl-1-methylene-2,4,8-decatrien-1-yl]-1,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]dec-7-ylidene]-, (2Z)- [ACD/Index Name]
propanal, 2-[(5S,6R,10S)-2-[(2E,4Z)-5-[(acetyloxy)methyl]-9-methyl-1-methylene-2,4,8-decatrien-1-yl]-1,10-dihydroxy-6-(3-hydroxypropyl)-10-methylspiro[4.5]dec-7-ylidene]-, (2Z)-
(+)-(6R,10S,11S,14S,26R)-29-Acetoxy-26-hydroxy-15,28
16, 17-tetra-dehydro-14,15-dihydro-spiroiridal
6-[9-[1-formyl-(Z)-ethylidene]-1,6-dihydroxy-10-(3-hydroxypropyl)-6-methyl-(5S,6S)-spiro[4.5]dec-2-yl]-2-(4-methyl-3-pentenyl)-(2Z,4E)-2,4,6-heptatrienyl acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC631941 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 688.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.4±6.0 kJ/mol
Flash Point: 213.6±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4846.46
ACD/KOC (pH 5.5): 15122.37
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4846.46
ACD/KOC (pH 7.4): 15122.37
Polar Surface Area: 104 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 476.0±5.0 cm3

Click to predict properties on the Chemicalize site


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