ChemSpider 2D Image | [(1aR,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-Tetrahydroxy-8-(hydroxymethyl)-1b,5,11b-trimethyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c,12,12a,12b-octadecahydrocycl opropa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]furo[3',2':10,10a]acephenanthryleno[2,1-b]furan-10-yl]methyl (2E)-2-methyl-2-butenoate | C35H40O11

[(1aR,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-Tetrahydroxy-8-(hydroxymethyl)-1b,5,11b-trimethyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c,12,12a,12b-octadecahydrocycl opropa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]furo[3',2':10,10a]acephenanthryleno[2,1-b]furan-10-yl]methyl (2E)-2-methyl-2-butenoate

  • Molecular FormulaC35H40O11
  • Average mass636.685 Da
  • Monoisotopic mass636.257080 Da
  • ChemSpider ID81368870

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de [(1aR,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-tétrahydroxy-8-(hydroxyméthyl)-1b,5,11b-triméthyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c ,12,12a,12b-octadécahydrocyclopropa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]furo[3',2':10,10a]acéphénanthryléno[2,1-b]furan-10-yl]méthyle [French] [ACD/IUPAC Name]
[(1aR,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-Tetrahydroxy-8-(hydroxymethyl)-1b,5,11b-trimethyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c,12,12a,12b-octadecahydrocycl opropa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]furo[3',2':10,10a]acephenanthryleno[2,1-b]furan-10-yl]methyl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
[(1aR,2R,2aS,5cR,9aR,10S,10aS,11aR,11bS,11cS,12aS,12bS)-2,2a,10,12a-Tetrahydroxy-8-(hydroxymethyl)-1b,5,11b-trimethyl-4,7-dioxo-1,1a,1b,2,2a,4,7,9,9a,10,10a,11,11a,11b,11c,12,12a,12b-octadecahydrocycl opropa[4,5]cyclopropa[4',5']cyclopenta[1',2':7,8]furo[3',2':10,10a]acephenanthryleno[2,1-b]furan-10-yl]methyl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
1000995-49-2 [RN]
chloramultilide D
MFCD28100608

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.705
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.19
ACD/KOC (pH 5.5): 170.21
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.15
ACD/KOC (pH 7.4): 169.53
Polar Surface Area: 180 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 403.9±5.0 cm3

Click to predict properties on the Chemicalize site


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