Cas no 164991-73-5 (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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI))
164991-73-5 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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI)
CAS No:164991-73-5
MF:C54H76N2O10
MW:913.188656806946
CID:202381
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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI) 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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'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'',11',11'b,22',22'b-hexol,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,6'aa,9'ab,9'ba,11'b,11'ab,11'ba,12'a,13'a(R*),14'aa,15'bb,17'aa,20
- 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
- ritterazine K
- 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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI)
-
- Inchi: 1S/C54H76N2O10/c1-27-51(15-13-45(3,59)25-63-51)65-43-21-35-31-11-9-29-17-37-39(23-47(29,5)33(31)19-41(57)49(35,7)53(27,43)61)55-38-18-30-10-12-32-34(48(30,6)24-40(38)56-37)20-42(58)50(8)36(32)22-44-54(50,62)28(2)52(66-44)16-14-46(4,60)26-64-52/h21-22,27-34,41-44,57-62H,9-20,23-26H2,1-8H3
- InChI Key: IANYVIYHCFUSSX-UHFFFAOYSA-N
- SMILES: OC12C(C3(OCC(O)(C)CC3)OC1C=C1C3CCC4CC5N=C6CC7(C8CC(O)C9(C%10(C(C%11(OCC(O)(C)CC%11)OC%10C=C9C8CCC7CC6=NC=5CC4(C)C3CC(O)C21C)C)O)C)C)C
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 66
- XLogP3: 3.456
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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI) Related Literature
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
164991-73-5 (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'',11',11'b,22',22'b-hexol,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,6'aS,9'aS,9'bS,11'R,11'aR,11'bS,12'S,14'aS,15'bR,17'aS,20'aS,20'bS,22'R,22'aR,22'bS)-(9CI)) Related Products
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