Found 15 results

Search term: MF = 'C_{61}H_{86}O_{19}'

ChemSpider 2D Image | 7-Hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',14'',29''-tetramethyl-8'',15''-bis(methylene)decahydro-3H,3'H,32''H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]un
decaoxaundecacyclo[32.9.2.1~3,40~.1~3,41~.1~6,9~.1~12,16~.0~18,30~.0~20,28~.0~22,26~.0~37,44~.0~39,43~]nonatetracontan]-32''-one | C61H86O19

7-Hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',14'',29''-tetramethyl-8'',15''-bis(methylene)decahydro-3H,3'H,32''H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]un decaoxaundecacyclo[32.9.2.13,40.13,41.16,9.112,16.018,30.020,28.022,26.037,44.039,43]nonatetracontan]-32''-one

  • Molecular FormulaC61H86O19
  • Average mass1123.324 Da
  • Monoisotopic mass1122.576294 Da
  • ChemSpider ID139332

More details:






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

7-Hydroxy-6-(4-hydroxy-2-oxobutyl)-4,7',14'',29''-tetramethyl-8'',15''-bis(methylene)decahydro-3H,3'H,32''H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]un ;decaoxaundecacyclo[32.9.2.13,40.13,41.16,9.112,16.018,30.020,28.022,26.037,44.039,43]nonatetracontan]-32''-one [ACD/IUPAC Name]
157078-48-3 [RN]
Ihb cpd
isohomohalichondrin B

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

NCI60_017561 [DBID]
NSC650467 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 281.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 44899.72
ACD/KOC (pH 5.5): 74414.71
ACD/LogD (pH 7.4): 6.42
ACD/BCF (pH 7.4): 44899.72
ACD/KOC (pH 7.4): 74414.71
Polar Surface Area: 213 Å2
Polarizability: 111.7±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 817.7±5.0 cm3

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