Found 7 results

Search term: VWINOFLMOJPXGV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,7S,10E,12S)-12-[(1S,3R,4E,6E)-1-Hydroxy-3,5-bis[(~13~C)methyl](2,4,6,7,9-~13~C_5_)-4,6-nonadien-1-yl]-3,7-bis[(~13~C)methyl](2,3,5,6,8,10,12-~13~C_7_)oxacyclododec-10-ene-2,6-dione | C813C16H38O4

(3S,7S,10E,12S)-12-[(1S,3R,4E,6E)-1-Hydroxy-3,5-bis[(13C)methyl](2,4,6,7,9-13C5)-4,6-nonadien-1-yl]-3,7-bis[(13C)methyl](2,3,5,6,8,10,12-13C7)oxacyclododec-10-ene-2,6-dione

  • Molecular FormulaC813C16H38O4
  • Average mass406.439 Da
  • Monoisotopic mass406.330688 Da
  • ChemSpider ID9986250

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S,7S,10E,12S)-12-[(1S,3R,4E,6E)-1-Hydroxy-3,5-bis[(13C)methyl](2,4,6,7,9-13C5)-4,6-nonadien-1-yl]-3,7-bis[(13C)methyl](2,3,5,6,8,10,12-13C7)oxacyclododec-10-en-2,6-dion [German] [ACD/IUPAC Name]
(3S,7S,10E,12S)-12-[(1S,3R,4E,6E)-1-Hydroxy-3,5-bis[(13C)methyl](2,4,6,7,9-13C5)-4,6-nonadien-1-yl]-3,7-bis[(13C)methyl](2,3,5,6,8,10,12-13C7)oxacyclododec-10-ene-2,6-dione [ACD/IUPAC Name]
(3S,7S,10E,12S)-12-[(1S,3R,4E,6E)-1-Hydroxy-3,5-bis[(13C)méthyl](2,4,6,7,9-13C5)-4,6-nonadién-1-yl]-3,7-bis[(13C)méthyl](2,3,5,6,8,10,12-13C7)oxacyclododéc-10-ène-2,6-dione [French] [ACD/IUPAC Name]
Oxacyclododec-10-ene-2,6-dione-2,3,5,6,8,10,12-13C7, 12-[(1S,3R,4E,6E)-1-hydroxy-3,5-di(methyl-13C)-4,6-nonadien-1-yl-2,4,6,7,9-13C5]-3,7-di(methyl-13C)-, (3S,7S,10E,12S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.483
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 399.3±3.0 cm3

Click to predict properties on the Chemicalize site


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