ChemSpider 2D Image | (1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-Dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.0~2,12~.0~2,16~.0~4,6~.0~6,11~.0~18,28~.0~20,22~.0~22
,27~]triaconta-12,18(28)-diene-3,19-dione | C38H52O10

(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-Dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.02,12.02,16.04,6.06,11.018,28.020,22.022 ,27]triaconta-12,18(28)-diene-3,19-dione

  • Molecular FormulaC38H52O10
  • Average mass668.813 Da
  • Monoisotopic mass668.356018 Da
  • ChemSpider ID26392262
  • defined stereocentres - 14 of 14 defined stereocentres


More details:






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

(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-Dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.02,12.02,16.04,6.06,11.018,28.020,22.022 ,27]triaconta-12,18(28)-dien-3,19-dion [German] [ACD/IUPAC Name]
(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-Dihydroxy-9,9,25,25-tetramethyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.02,12.02,16.04,6.06,11.018,28.020,22.022 ,27]triaconta-12,18(28)-diene-3,19-dione [ACD/IUPAC Name]
(1S,2R,4R,6R,8S,11S,15S,16R,17S,20R,22R,24S,27R,30R)-8,24-Dihydroxy-9,9,25,25-tétraméthyl-15,30-dipentyl-5,10,14,21,26,29-hexaoxanonacyclo[15.11.2.02,12.02,16.04,6.06,11.018,28.020,22.022 ,27]triaconta-12,18(28)-diène-3,19-dione [French] [ACD/IUPAC Name]
15,8-(Epoxymethano)-1H,4aH,11H,15H-oxireno[g]oxireno[6,7]pyrano[2',3':5,6]naphtho[2,3-d]pyrano[3,2-h][2]benzopyran-9,16(9aH,16aH)-dione, 2,3,7,7a,8,12,13,14a-octahydro-2,12-dihydroxy-3,3,13,13-tetrame thyl-7,19-dipentyl-, (2S,4aS,7S,7aR,8S,9aR,10aR,12S,14aR,15S,15aR,16aR,17aR,19R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 172.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 118292.84
ACD/KOC (pH 5.5): 148868.22
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 118292.84
ACD/KOC (pH 7.4): 148868.22
Polar Surface Area: 137 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 497.4±5.0 cm3

Click to predict properties on the Chemicalize site






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