Found 13 results

Search term: MF = 'C_{33}H_{35}ClO_{11}'
ChemSpider 2D Image | Methyl (1'S,2R,4'R,5'S,7'S,8'S,13'R,15'S,17'R,18'R)-18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methyl-2-buten-1-yl)-4-oxo-4H,15'H-spiro[1,3-benzodioxine-2,19'-[2,3,6]trioxahexacyclo[13 .3.1.0~1,11~.0~4,10~.0~5,7~.0~13,18~]nonadeca[9,11]diene]-15'-carboxylate | C33H35ClO11

Methyl (1'S,2R,4'R,5'S,7'S,8'S,13'R,15'S,17'R,18'R)-18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methyl-2-buten-1-yl)-4-oxo-4H,15'H-spiro[1,3-benzodioxine-2,19'-[2,3,6]trioxahexacyclo[13 .3.1.01,11.04,10.05,7.013,18]nonadeca[9,11]diene]-15'-carboxylate

  • Molecular FormulaC33H35ClO11
  • Average mass643.077 Da
  • Monoisotopic mass642.186768 Da
  • ChemSpider ID78436528

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Methyl (1'S,2R,4'R,5'S,7'S,8'S,13'R,15'S,17'R,18'R)-18'-chloro-5,8'-dihydroxy-17'-methoxy-7,13'-dimethyl-5'-(3-methyl-2-buten-1-yl)-4-oxo-4H,15'H-spiro[1,3-benzodioxine-2,19'-[2,3,6]trioxahexacyclo[13 ;.3.1.01,11.04,10.05,7.013,18]nonadeca[9,11]diene]-15'-carboxylate [ACD/IUPAC Name]
Chloropupukeanolide A

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13398.04
ACD/KOC (pH 5.5): 31176.50
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 6103.37
ACD/KOC (pH 7.4): 14202.20
Polar Surface Area: 143 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 421.8±5.0 cm3

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