Found 16 results

Search term: MF = 'C_{54}H_{76}N_{2}O_{9}'
ChemSpider 2D Image | (1'S,2S,2'R,3a'S,4b'R,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'R,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5,5'',9a',11a',12',20a',22a'-Nonamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7 ',9',9a',9b',10',11',11a',11b',12',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydro-3H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenaz ine-2',2''-pyran]-5',5'',11',22',22b'(1'H)-p | C54H76N2O9

(1'S,2S,2'R,3a'S,4b'R,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'R,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5,5'',9a',11a',12',20a',22a'-Nonamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7 ',9',9a',9b',10',11',11a',11b',12',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydro-3H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenaz ine-2',2''-pyran]-5',5'',11',22',22b'(1'H)-p

  • Molecular FormulaC54H76N2O9
  • Average mass897.189 Da
  • Monoisotopic mass896.555054 Da
  • ChemSpider ID8254961

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(1'S,2S,2'R,3a'S,4b'R,5'S,5''S,6a'R,9a'S,9b'S,11'R,11a'R,11b'R,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-1',5,5,5'',9a',11a',12',20a',22a'-Nonamethyl-3'',3a',4,4'',4b',5,5',5'',6',6'',6a',7 ',9',9a',9b',10',11',11a',11b',12',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-dotriacontahydro-3H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenaz ine-2',2''-pyran]-5',5'',11',22',22b'(1'H)-p [ACD/IUPAC Name]
Dispiro[furan-2(3H),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',22',22'b(1'H)-pentol, 3'',3'a,4,4'',4'b,5,5',5'',6',6'',6'a,7',9',9 'a,9'b,10',11',11'a,11'b,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-dotriacontahydro-1',5,5,5'',9'a,11'a,12',20'a,22'a-nonamethyl-, (1'S,2S,2'R,3a'S,4b'R,5'S,5''S,6a'R,9a'S,9b'S,11'R,11 a'R,11b'R,12'S,14a'S,15b'R,17a'S,20a'S,20b'S [ACD/Index Name]
ritterazine G

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: 1.652
Molar Refractivity: 243.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30886.25
ACD/KOC (pH 5.5): 56913.17
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30922.18
ACD/KOC (pH 7.4): 56979.38
Polar Surface Area: 164 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 664.7±5.0 cm3

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