ChemSpider 2D Image | Methyl (1R,4S,5R,6S,7R,8S,10S,14S,16R,18S,19R,22R,23R,26R)-7,14-dihydroxy-23-(methacryloyloxy)-4-methoxy-6,16,22-trimethyl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.1~8,15~.0~1,5~.0~6,18~.0~7,16~.0~10,14~ .0~22,26~]heptacos-12-ene-4-carboxylate | C32H42O12

Methyl (1R,4S,5R,6S,7R,8S,10S,14S,16R,18S,19R,22R,23R,26R)-7,14-dihydroxy-23-(methacryloyloxy)-4-methoxy-6,16,22-trimethyl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14 .022,26]heptacos-12-ene-4-carboxylate

  • Molecular FormulaC32H42O12
  • Average mass618.669 Da
  • Monoisotopic mass618.267639 Da
  • ChemSpider ID8945457

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1R,4S,5R,6S,7R,8S,10S,14S,16R,18S,19R,22R,23R,26R)-7,14-Dihydroxy-23-(méthacryloyloxy)-4-méthoxy-6,16,22-triméthyl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,2 6]heptacos-12-ène-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
9,14-Methano-2H,6H-difuro[2'',3'',4'':4',5';4''',3''':1',8'a]naphtho[2',3':4,5]furo[2,3-e]furo[2,3-b]oxepin-8-carboxylic acid, 2a,3,4,5,8,8a,8b,8c,9,10a,13a,14,14a,15a,15b,15c-hexadecahydro-8c,13a-dih ydroxy-8-methoxy-2a,8b,14a-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)oxy]-, methyl ester, (2aR,3R,5aR,8S,8aR,8bS,8cR,9S,10aS,13aS,14aR,15aS,15bR,15cR)- [ACD/Index Name]
Methyl (1R,4S,5R,6S,7R,8S,10S,14S,16R,18S,19R,22R,23R,26R)-7,14-dihydroxy-23-(methacryloyloxy)-4-methoxy-6,16,22-trimethyl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14 .022,26]heptacos-12-ene-4-carboxylate [ACD/IUPAC Name]
Methyl-(1R,4S,5R,6S,7R,8S,10S,14S,16R,18S,19R,22R,23R,26R)-7,14-dihydroxy-23-(methacryloyloxy)-4-methoxy-6,16,22-trimethyl-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14 .022,26]heptacos-12-en-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 150.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.73
ACD/KOC (pH 5.5): 403.99
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.72
ACD/KOC (pH 7.4): 403.97
Polar Surface Area: 148 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 433.1±5.0 cm3

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