Cas no 102580-65-4 (Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester)

Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester structure
102580-65-4 structure
Product Name:Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester
CAS No:102580-65-4
MF:C42H64O15
MW:808.948575019836
CID:175006
PubChem ID:6438934
Update Time:2025-04-19

Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester
    • Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11R,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-tetraoxa
    • Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-[(1R)-1-hydroxyethyl]-5,13-bis(2-m
    • Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-tetraoxa
    • (5E,13E)-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 2-methylbutanoate
    • 7-O-Deacetyl-20-de((1-oxo-2,4-octadienyl)oxy)-7-O-(3-methyl-1-oxobutyl)bryostatin 1
    • Bryostatin 1, 7-O-deacetyl-20-de((1-oxo-2,4-octadienyl)oxy)-7-O-(3-methyl-1-oxobutyl)-
    • Bryostatin 10
    • Bryostatin-10
    • Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11R,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-en-25-yl ester
    • 102580-65-4
    • Butanoic acid, 3-methyl-, (1S,3S,5Z,7R,8E,11R,13E,15S,17R,21R,23R,25S)-1,11,21-trihydroxy-17-(1R)-1-
    • [(5E,8E,13E)-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] 2-methylbutanoate
    • Inchi： 1S/C42H64O15/c1-10-24(2)38(48)55-34-21-31-18-28(44)19-37(47)54-33(25(3)43)20-30-15-27(17-36(46)52-9)22-41(49,56-30)39(4,5)12-11-29-13-26(16-35(45)51-8)14-32(53-29)23-42(50,57-31)40(34,6)7/h11-12,16-17,24-25,28-34,43-44,49-50H,10,13-15,18-23H2,1-9H3/b12-11+,26-16-,27-17+
    • InChI Key： NJMZVUZEDLKEGZ-XMADZBCLSA-N
    • SMILES： O1C2CC(CC(=O)OC(C(C)O)CC3C/C(=C\C(=O)OC)/CC(C(C)(C)C=CC4C/C(=C/C(=O)OC)/CC(CC1(C(C)(C)C(C2)OC(C(C)CC)=O)O)O4)(O)O3)O |t:26|

Computed Properties

  • Exact Mass: 808.42462
  • Monoisotopic Mass: 808.424521
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 9
  • Complexity: 1550
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 11
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 214
  • XLogP3: 3.5

Experimental Properties

  • Density: 1.26
  • Boiling Point: 891.8°Cat760mmHg
  • Flash Point: 258.8°C
  • Refractive Index: 1.557
  • PSA: 213.81

Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester Related Literature

102580-65-4 (Butanoic acid,3-methyl-,(1S,3S,5Z,7R,8E,11R,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-en-25-ylester) Related Products

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