ChemSpider 2D Image | Cinnamtannin B2 | C60H48O24

Cinnamtannin B2

  • Molecular FormulaC60H48O24
  • Average mass1153.009 Da
  • Monoisotopic mass1152.253540 Da
  • ChemSpider ID10276001

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1S,5R,6R,7S,13R,21R)-5,13-Bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro ;-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaen-6,9,17,19,21-pentol [German] [ACD/IUPAC Name]
(1S,5R,6R,7S,13R,21R)-5,13-Bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro ;-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol [ACD/IUPAC Name]
(1S,5R,6R,7S,13R,21R)-5,13-Bis(3,4-dihydroxyphényl)-7-[(2R,3R)-2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphényl)-3,5,7-trihydroxy-3,4-dihydro ;-2H-chromén-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]hénicosa-2,8,10,15,17,19-hexaène-6,9,17,19,21-pentol [French] [ACD/IUPAC Name]
(1S,5R,6R,7S,13R,21R)-5,13-Bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15,17,19-hexaene-6,9,17,19,21-pentol
(2R,3R,4S,8R,14S,15R)-2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-10-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H,14H-8,14-methanochromeno[7,8-d][1,3]benzodioxocine-3,5,11,13,15-pentol
8,14-Methano-2H,14H-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran- 8-yl]-10-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3R,4S,8R,14S,15R)- [ACD/Index Name]
8,14-methano-2H,14H-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol, 2,8-bis(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-8-yl]-10-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-4-yl]-3,4-dihydro-, (2R,3R,4S,8R,14S,15R)-
88038-12-4 [RN]
Cinnamtannin B2
(1R,5R,6R,7S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-di
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

99DGE65202 [DBID]
UNII:99DGE65202 [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.853
Molar Refractivity: 286.8±0.3 cm3
#H bond acceptors: 24
#H bond donors: 19
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.70
ACD/KOC (pH 5.5): 272.02
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.27
ACD/KOC (pH 7.4): 265.39
Polar Surface Area: 431 Å2
Polarizability: 113.7±0.5 10-24cm3
Surface Tension: 118.6±3.0 dyne/cm
Molar Volume: 640.3±3.0 cm3

Click to predict properties on the Chemicalize site


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