ChemSpider 2D Image | (7R,11R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-7,11,15,23,27-pentamethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25-pentone | C32H38O14

(7R,11R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-7,11,15,23,27-pentamethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25-pentone

  • Molecular FormulaC32H38O14
  • Average mass646.636 Da
  • Monoisotopic mass646.226135 Da
  • ChemSpider ID171068

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(7R,11R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-7,11,15,23,27-pentamethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-penton [German] [ACD/IUPAC Name]
(7R,11R,15R,23R,27R)-2,4,18,20-Tetrahydroxy-7,11,15,23,27-pentamethyl-7,8,11,12,15,16,23,24,27,28-decahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosine-5,9,13,21,25-pentone [ACD/IUPAC Name]
(7R,11R,15R,23R,27R)-2,4,18,20-Tétrahydroxy-7,11,15,23,27-pentaméthyl-7,8,11,12,15,16,23,24,27,28-décahydro-5H,9H,13H,21H,25H-dibenzo[k,u][1,5,9,15,19]pentaoxacyclotétracosine-5,9,13,21,25-pentone [French] [ACD/IUPAC Name]
5H,9H,13H,21H,25H-Dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-7,11,15,23,27-pentamethyl-, (7R,11R,15R,23R,27R)- [ACD/Index Name]
(4R,8R,18R,22R,26R)-12,14,30,32-TETRAHYDROXY-4,8,18,22,26-PENTAMETHYL-3,7,17,21,25-PENTAOXATRICYCLO[26.4.0.0–?,–?]DOTRIACONTA-1(28),10(15),11,13,29,31-HEXAENE-2,6,16,20,24-PENTONE
151379-39-4 [RN]
15G256b
BK223 C
BK223-C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1032.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.1±3.0 kJ/mol
Flash Point: 329.4±27.8 °C
Index of Refraction: 1.524
Molar Refractivity: 158.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.06
ACD/KOC (pH 5.5): 1688.55
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 52.75
ACD/KOC (pH 7.4): 388.83
Polar Surface Area: 212 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 516.7±3.0 cm3

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