Found 5 results

Search term: JEGZCUVXFJVBSJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1'S,2R,2'R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'S,22a'R,22b'R)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-1',3,3'',3a',4,4'',4b',5,5',5'',6,6',6'',6
a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-tetratriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazi
ne-2',2''-pyran]-5,5'',11',11b',22'(12'H)-pe | C54H76N2O9

(1'S,2R,2'R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'S,22a'R,22b'R)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-1',3,3'',3a',4,4'',4b',5,5',5'',6,6',6'',6 a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-tetratriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazi ne-2',2''-pyran]-5,5'',11',11b',22'(12'H)-pe

  • Molecular FormulaC54H76N2O9
  • Average mass897.189 Da
  • Monoisotopic mass896.555054 Da
  • ChemSpider ID29213198
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

(1'S,2R,2'R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'S,22a'R,22b'R)-1',5,5'',9a',11a',12',20a',22a'-Octamethyl-1',3,3'',3a',4,4'',4b',5,5',5'',6,6',6'',6 a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a',22b'-tetratriacontahydrodispiro[pyran-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazi ne-2',2''-pyran]-5,5'',11',11b',22'(12'H)-pe [ACD/IUPAC Name]
Dispiro[2H-pyran-2,13'(2'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2''-[2H]pyran]-5,5'',11',11'b,22'(12'H)-pentol, 1',3,3'',3'a,4,4'',4'b,5,5',5'',6,6',6'',6'a,7 ',9',9'a,9'b,10',11',11'a,14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a,22'b-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-, (1'S,2R,2'R,3a'S,4b'R,5S,5''S,6a'S,9a'S,9b'S,11'R, 11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b [ACD/Index Name]

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: 1.653
Molar Refractivity: 243.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89738.36
ACD/KOC (pH 5.5): 122102.02
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89880.75
ACD/KOC (pH 7.4): 122295.76
Polar Surface Area: 164 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 664.1±5.0 cm3

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