Found 25 results

Search term: MF = 'C_{38}H_{56}O_{13}'
ChemSpider 2D Image | (2E)-2-Methyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,13S,14R,15aS,16aR,17aS,18aR,19aS,20S,21aR,22aS,23S,24aR)-13,20,23-trihydroxy-14,17a-dimethyltriacontahydro-2H-furo[3,2-b]pyrano[2'''''',3'''''':5 ''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-f]oxepin-2-yl]-2-butenal | C38H56O13

(2E)-2-Methyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,13S,14R,15aS,16aR,17aS,18aR,19aS,20S,21aR,22aS,23S,24aR)-13,20,23-trihydroxy-14,17a-dimethyltriacontahydro-2H-furo[3,2-b]pyrano[2'''''',3'''''':5 ''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-f]oxepin-2-yl]-2-butenal

  • Molecular FormulaC38H56O13
  • Average mass720.843 Da
  • Monoisotopic mass720.372070 Da
  • ChemSpider ID17246646

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(2E)-2-Methyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,13S,14R,15aS,16aR,17aS,18aR,19aS,20S,21aR,22aS,23S,24aR)-13,20,23-trihydroxy-14,17a-dimethyltriacontahydro-2H-furo[3,2-b]pyrano[2'''''',3'''''':5 ''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-f]oxepin-2-yl]-2-butenal [ACD/IUPAC Name]
(2E)-2-Methyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,13S,14R,15aS,16aR,17aS,18aR,19aS,20S,21aR,22aS,23S,24aR)-13,20,23-trihydroxy-14,17a-dimethyltriacontahydro-2H-furo[3,2-b]pyrano[2'''''',3'''''':5 ''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxepino[2',3':5,6]pyrano[2,3-f]oxepin-2-yl]-2-butenal [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-4-[(2S,3aS,4aR,5aS,6aR,7aS,8aR,10aS,11aR,13S,14R,15aS,16aR,17aS,18aR,19aS,20S,21aR,22aS,23S,24aR)-13,20,23-trihydroxy-14,17a-diméthyltriacontahydro-2H-furo[3,2-b]pyrano[2'''''',3'''''':5 ''''',6''''']pyrano[2''''',3''''':6'''',7'''']oxépino[2'''',3'''':5''',6''']pyrano[2''',3''':5'',6'']pyrano[2'',3'':6',7']oxépino[2',3':5,6]pyrano[2,3-f]oxépin-2-yl]-2-buténal [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.530
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.23
ACD/KOC (pH 5.5): 208.99
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.23
ACD/KOC (pH 7.4): 208.99
Polar Surface Area: 161 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 580.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement