(2alpha,5beta,7alpha,10beta,13alpha)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | CAS No. 71629-92-0

(2alpha,5beta,7alpha,10beta,13alpha)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate

Basic Information

CAS Number

71629-92-0

Molecular Formula

C29H36O10

Molecular Weight

544.6 g/mol

AD

Basic Physical Properties

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O

InChI

InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19+,21+,22-,24-,27+,28-,29+/m0/s1

InChIKey

YWLXLRUDGLRYDR-LUPIKGFISA-N

LogP

1.0817999999999994

Topological Polar Surface Area

159.82 Ų

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

1090

Synonyms & References

English

  • YWLXLRUDGLRYDR-LUPIKGFISA-N
  • 7-Epi-10-deacetylbaccatin III
  • SW219049-1
  • [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • 7-epi-10-Deacetyl-Baccatin III
  • 7-epi-10-DAB
  • CS-0855305
  • 7-epi-10-Deacetyl Baccatin III
  • 71629-92-0
  • (1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-(acetyloxy)-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0,.0,heptadec-13-en-2-yl benzoate
  • HY-W778546
  • 10-DEACETYLBACCATIN-III
  • 10-DAB (10-Deacetylbaccatin)
  • PD063471
  • DTXSID80432123
  • 10-Deacetyl
  • 10-Deacetylbaccatine III
  • DEACETYLBACCATIN V, 10-(P)

MDL Number

MFCD04448825

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