ChemSpider 2D Image | (1S,2E,15E,20S,25S,28R,30S,31R,32R,33S)-19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0~1,25~.0~4,20~.0~10,14~.0~28,33~]tetratriaconta-2,10(14),15,26-tetraene-7,11,13
,22-tetrone | C32H38O12

(1S,2E,15E,20S,25S,28R,30S,31R,32R,33S)-19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraene-7,11,13 ,22-tetrone

  • Molecular FormulaC32H38O12
  • Average mass614.637 Da
  • Monoisotopic mass614.236328 Da
  • ChemSpider ID4943298
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 11 defined stereocentres


More details:






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

(1S,2E,15E,20S,25S,28R,30S,31R,32R,33S)-19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraen-7,11,13, 22-tetron [German] [ACD/IUPAC Name]
(1S,2E,15E,20S,25S,28R,30S,31R,32R,33S)-19,32-Dihydroxy-23-methoxy-2,31-dimethyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tetratriaconta-2,10(14),15,26-tetraene-7,11,13 ,22-tetrone [ACD/IUPAC Name]
(1S,2E,15E,20S,25S,28R,30S,31R,32R,33S)-19,32-Dihydroxy-23-méthoxy-2,31-diméthyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.01,25.04,20.010,14.028,33]tétratriaconta-2,10(14),15,26-tétraène-7,11,13 ,22-tétrone [French] [ACD/IUPAC Name]
2,5-Methano-2H,13H,19H-furo[3',4':10,11][1,7]dioxacyclotetradecino[4,3-e]pyrano[2,3-i][4]benzoxecin-10,17,19,22(3H)-tetrone, 4,4a,5,7a,8,9,11a,12,20,21,24,24a-dodecahydro-4,12-dihydroxy-9-methoxy-3,26 -dimethyl-, (2S,3R,4R,4aS,5R,7aS,11aS,15E,25E,26aS)- [ACD/Index Name]
1,24-Methano-1H,9H,15H-furo(3',4':10,11)(1,7)dioxacyclotetradecino(4,3-e)pyrano(2,3-i)(4)benzoxecin-6,13,15,18(3ah)-tetrone, 4,5,7a,8,16,17,20,20a,24,25,26,26a-dodecahydro-8,26-dihydroxy-22,25-dimethyl-5-methoxy-
1,24-Methano-1H,9H,15H-furo(3',4':10,11)(1,7)dioxacyclotetradecino(4,3-e)pyrano(2,3-i)(4)benzoxecin-6,13,15,18(3aH)-tetrone, 4,5,7a,8,16,17,20,20a,24,25,26,26a-dodecahydro-8,26-dihydroxy-5-methoxy-22,25-dimethyl-
107397-11-5 [RN]
99820-21-0 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 867.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.3±6.0 kJ/mol
Flash Point: 280.2±27.8 °C
Index of Refraction: 1.609
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 5.73
ACD/KOC (pH 5.5): 121.40
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.73
ACD/KOC (pH 7.4): 121.40
Polar Surface Area: 164 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 435.5±5.0 cm3

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