Cas no 102580-64-3 (Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester)

Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester structure
102580-64-3 structure
Product Name:Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester
CAS No:102580-64-3
MF:C45H68O17
MW:881.011236190796
CID:188666
PubChem ID:6438933
Update Time:2025-04-19

Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester
    • Butanoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-tetraoxatetracy
    • Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-m
    • (1S,3S,5Z,7R,11S,12S,13E,15S,17R,21R,23R,25S)-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-tetra
    • (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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[21.3.1.1~3,7~.1~11,15~]nonacos-8-ene-12,25-diyl dibutanoate
    • bryostatin 8
    • 7-O-Deacetyl-7-O,20-O-dibutyryl-20-O-de(1-oxo-2,4-octadienyl)bryostatin 1
    • Butanoic acid, (1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-tetraoxatetracyclo21.3.1.13,7.111,15nonacos-8-ene-12,25-diyl ester
    • [(5E,8E,13E)-12-Butanoyloxy-1,11,21-trihydroxy-17-(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-25-yl] butanoate
    • 102580-64-3
    • Bryostatin 1, 7-O-deacetyl-20-O-de(1-oxo-2,4-octadienyl)-7,20-bis-O-(1-oxobutyl)-
    • Inchi： 1S/C45H68O17/c1-10-12-36(48)59-35-24-32-21-29(47)22-40(52)58-34(26(3)46)23-31-19-28(20-39(51)56-9)41(60-37(49)13-11-2)45(54,62-31)42(4,5)15-14-30-16-27(18-38(50)55-8)17-33(57-30)25-44(53,61-32)43(35,6)7/h14-15,18,20,26,29-35,41,46-47,53-54H,10-13,16-17,19,21-25H2,1-9H3/b15-14+,27-18-,28-20+
    • InChI Key： SZVIECHSRIAHOF-QASJVHIUSA-N
    • SMILES： O1C2CC(CC(=O)OC(C(C)O)CC3C/C(=C\C(=O)OC)/C(C(C(C)(C)C=CC4C/C(=C/C(=O)OC)/CC(CC1(C(C)(C)C(C2)OC(CCC)=O)O)O4)(O)O3)OC(CCC)=O)O |t:26|

Computed Properties

  • Exact Mass: 880.445651g/mol
  • Monoisotopic Mass: 880.445651g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 62
  • Rotatable Bond Count: 13
  • Complexity: 1700
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 881g/mol
  • XLogP3: 3.2
  • Topological Polar Surface Area: 240?2

Experimental Properties

  • Density: 1.27
  • Boiling Point: 925°Cat760mmHg
  • Flash Point: 262.8°C
  • Refractive Index: 1.555

Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester Related Literature

102580-64-3 (Butanoic acid,1,1'-[(1S,3S,5Z,7R,8E,11S,12S,13E,15S,17R,21R,23R,25S)-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-ene-12,25-diyl]ester) Related Products

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