Cas no 121038-34-4 (5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1':)

5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1': structure
121038-34-4 structure
Product Name:5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1':
CAS No:121038-34-4
MF:C53H70N2O10
MW:895.130316257477
CID:1211810
PubChem ID:180003
Update Time:2025-04-20

5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1': Chemical and Physical Properties

Names and Identifiers

    • 5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1':
    • 5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',
    • 121038-34-4
    • NSC 378732
    • Cephalostatin 6
    • Inchi： 1S/C53H70N2O10/c1-24-30-15-38(57)44-29-12-10-27-14-35-36(19-48(27,6)31(29)16-39(45(30)44)62-52(24)41(59)21-46(3,4)64-52)54-34-13-26-9-11-28-32(49(26,7)20-37(34)55-35)17-40(58)50(8)33(28)18-43-51(50,61)25(2)53(63-43)42(60)22-47(5,23-56)65-53/h16,18,24-28,30,32,38,40-43,56-61H,9-15,17,19-23H2,1-8H3
    • InChI Key： GPCYNOXHQAAREG-UHFFFAOYSA-N
    • SMILES： O1C2(C(CC(C)(CO)O2)O)C(C)C2(C1C=C1C3CCC4CC5C(CC4(C)C3CC(C21C)O)=NC1CC2CCC3C4C(CC6C(C)C7(C(CC(C)(C)O7)O)OC(=CC=3C2(C)CC=1N=5)C6=4)O)O

Computed Properties

  • Exact Mass: 894.5033
  • Monoisotopic Mass: 894.50304643g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 1
  • Complexity: 2020
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 19
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 184?2

Experimental Properties

  • PSA: 184.08

5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1': Related Literature

Related Categories

121038-34-4 (5''-(hydroxymethyl)-1',5,5,5'',9a',13',20a',22a'-octamethyl-3a',4,4'',4b',5,5',5'',6',6a',7',9',9a',13',13a',14',15',16',17',17a',18',20',20a',20b',21',22',22a'-hexacosahydro-3H,3''H-dispiro[furan-2,12'-[3,11]dioxa[8,19]diazacyclopenta[de]pentaleno[2',1':) Related Products

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