ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-12'-[(2-methoxyethoxy)methoxy]-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]tr ioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C37H56O10

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-12'-[(2-methoxyethoxy)methoxy]-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]tr ioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID4953149

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-Dihydroxy-6-isopropyl-12'-[(2-methoxyethoxy)methoxy]-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]tr ;ioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-21',24'-DIHYDROXY-6-ISOPROPYL-12'-[(2-METHOXYETHOXY)METHOXY]-5,11',13',22'-TETRAMETHYL-3',7',19'-TRIOXASPIRO[OXANE-2,6'-TETRACYCLO[15.6.1.1?,?.0ì?,ì?]PENTACOSANE]-10',14',16',22'-TETRAEN-2'-ONE
103968-20-3 [RN]
156131-91-8 [RN]
Dimadectin [INN]
DIMADECTIN (MINOR COMPONENT)

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

UNII:J5W8X8IFUO [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 789.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.8±6.0 kJ/mol
Flash Point: 238.9±26.4 °C
Index of Refraction: 1.557
Molar Refractivity: 177.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7760.68
ACD/KOC (pH 5.5): 21182.69
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7760.58
ACD/KOC (pH 7.4): 21182.41
Polar Surface Area: 122 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 550.5±5.0 cm3

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