Cas no 164991-72-4 (Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,)
164991-72-4 structure
Product Name:Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,
CAS No:164991-72-4
MF:C54H76N2O11
MW:929.188056945801
CID:204156
Update Time:2024-03-01
Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS, Chemical and Physical Properties
Names and Identifiers
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- Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,
- Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,[1'S-[1'a,2'a(R*),3'aa,4'bb,5'b,6'aa,9'ab,9'ba,11'b,11'ab,11'ba,12'a,13'a(R*),14'aa,15'bb,
- Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5
- Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol, 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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacont...
- ritterazine J
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- Inchi: 1S/C54H76N2O11/c1-26-51(13-11-45(3,60)24-64-51)66-42-20-32-30-10-9-28-15-35-37(22-47(28,5)31(30)18-40(58)49(32,7)53(26,42)62)56-36-16-29-17-39(57)44-33(48(29,6)23-38(36)55-35)19-41(59)50(8)34(44)21-43-54(50,63)27(2)52(67-43)14-12-46(4,61)25-65-52/h20-21,26-31,33,39-44,57-63H,9-19,22-25H2,1-8H3
- InChI Key: PXIFVIFNGBKJJW-UHFFFAOYSA-N
- SMILES: CC1C2(C(C=C3C2(C)C(O)CC2C3CCC3C2(C)CC2C(=NC4=C(N=2)CC2CC(C5C6=CC7C(C6(C)C(O)CC5C2(C)C4)(O)C(C)C2(OCC(O)(C)CC2)O7)O)C3)OC21OCC(O)(C)CC2)O
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 67
- XLogP3: 1.793
Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS, Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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164991-72-4 (Dispiro[2H-pyran-2,2'(13'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-13',2''-[2H]pyran]-5,5',5'',11',11'b,22',22'b-heptol,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,12',14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-tetratriacontahydro-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-,(1'S,2R,2''R,3'aS,4'bR,5S,5'S,5''S,6'aR,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,) Related Products
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