Cas no 136448-58-3 (Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac)

Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac structure
136448-58-3 structure
Product Name:Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac
CAS No:136448-58-3
MF:C47H68O18
MW:921.032036781311
CID:901200
Update Time:2024-02-29

Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac Chemical and Physical Properties

Names and Identifiers

    • 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo21.3.1.13,7.111,15
    • 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-
    • 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-(1R)-1-hydroxyethyl-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-
    • Bryostatin 15
    • CID 102241573
    • 2,4-Octadienoic acid, 6-hydroxy-, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-25-(acetyloxy)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-methoxy-2-oxoethylidene)-10,10,26,26-tetramethyl-19-oxo-18,27,28,29-tetraoxatetracyclo[21.3.1.13,7.111,15]nonacos-8-en-12-yl ester, (2E,4E)-
    • Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac
    • Inchi： 1S/C47H68O18/c1-10-31(50)13-11-12-14-39(52)63-43-30(21-41(54)59-9)20-34-24-37(27(2)48)62-42(55)23-32(51)22-35-25-38(60-28(3)49)45(6,7)46(56,64-35)26-36-18-29(19-40(53)58-8)17-33(61-36)15-16-44(4,5)47(43,57)65-34/h11-16,19,21,27,31-38,43,48,50-51,56-57H,10,17-18,20,22-26H2,1-9H3/b13-11+,14-12+,16-15-,29-19+,30-21+/t27-,31?,32-,33+,34+,35-,36+,37-,38+,43+,46+,47-/m1/s1
    • InChI Key： FHGLMEYTRPWSLO-MULBXUMXSA-N
    • SMILES： O1[C@@H]2C[C@H](CC(=O)O[C@@H]([C@@H](C)O)C[C@@H]3CC(=CC(=O)OC)[C@@H]([C@@](C(C)(C)C=C[C@H]4C/C(=C\C(=O)OC)/C[C@@H](C[C@]1(C(C)(C)[C@H](C2)OC(C)=O)O)O4)(O)O3)OC(/C=C/C=C/C(CC)O)=O)O |c:26|

Computed Properties

  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 13
  • Complexity: 1860
  • Topological Polar Surface Area: 260

Bis(deacyl)bryostatin 1; 20-O-(6-Hydroxy-2E,4E-octadienoyl), 7-Ac Related Literature

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