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Substance Name: 8-epi-10-Deacetylbaccatin III
RN: 92999-93-4
InChIKey: YWLXLRUDGLRYDR-NLQSSOKFSA-N

Molecular Weight

  • 544.5934
 
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Names and Synonyms

Name of Substance

  • 8-epi-10-Deacetylbaccatin III

Systematic Name

  • 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4aalpha,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-

Registry Numbers

CAS Registry Number

  • 92999-93-4

System Generated Number

  • 0092999934

Structure Descriptors

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-NLQSSOKFSA-N

Smiles

CC1=C2[C@H](C(=O)[C@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O