ChemSpider 2D Image | (2R,4S,4a'R,5a'S,6a'R,8a'S,9a'R,12a'S,13a'R,14'S,15'S,15a'S,18'S,19'S,19a'R,20a'S,21a'R,22a'S,23a'R,24a'S,26'Z,28a'R,29a'S)-14',18',19'-Trimethyl-2',3',4,4a',5,5',5a',6a',7',8',8a',9a',10',11',12',12a
',13a',14',15',15a',18',19',19a',20a',21',21a',22a',23',23a',24a',25',28',28a',29a'-tetratriacontahydro-1'H,3H-spiro[furan-2,17'-pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2
''',3''':7'',8'']oxocino[2'',3'':5',6']pyran | C42H64O12

(2R,4S,4a'R,5a'S,6a'R,8a'S,9a'R,12a'S,13a'R,14'S,15'S,15a'S,18'S,19'S,19a'R,20a'S,21a'R,22a'S,23a'R,24a'S,26'Z,28a'R,29a'S)-14',18',19'-Trimethyl-2',3',4,4a',5,5',5a',6a',7',8',8a',9a',10',11',12',12a ',13a',14',15',15a',18',19',19a',20a',21',21a',22a',23',23a',24a',25',28',28a',29a'-tetratriacontahydro-1'H,3H-spiro[furan-2,17'-pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2 ''',3''':7'',8'']oxocino[2'',3'':5',6']pyran

  • Molecular FormulaC42H64O12
  • Average mass760.950 Da
  • Monoisotopic mass760.439758 Da
  • ChemSpider ID9269045
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(2R,4S,4a'R,5a'S,6a'R,8a'S,9a'R,12a'S,13a'R,14'S,15'S,15a'S,18'S,19'S,19a'R,20a'S,21a'R,22a'S,23a'R,24a'S,26'Z,28a'R,29a'S)-14',18',19'-Trimethyl-2',3',4,4a',5,5',5a',6a',7',8',8a',9a',10',11',12',12a ',13a',14',15',15a',18',19',19a',20a',21',21a',22a',23',23a',24a',25',28',28a',29a'-tetratriacontahydro-1'H,3H-spiro[furan-2,17'-pyrano[2''''',3''''':6'''',7'''']oxepino[2'''',3'''':5''',6''']pyrano[2 ''',3''':7'',8'']oxocino[2'',3'':5',6']pyran [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.586
Molar Refractivity: 196.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2009.42
ACD/KOC (pH 5.5): 8052.59
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2009.42
ACD/KOC (pH 7.4): 8052.58
Polar Surface Area: 133 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 584.3±5.0 cm3

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