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Substance Name: 1-Hydroxy-7,9-dideacetylbaccatin I
RN: 142203-64-3
InChIKey: WJMBBODKITXTJA-YHGXYTIQSA-N

Note

  • From the stem barks of Taxus chinensis.

Molecular Weight

  • 568.612
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxy-7,9-dideacetylbaccatin I

Synonyms

  • 1-Hydroxy-7,9-dideacetyl baccatin I
  • Hddabi

Registry Numbers

CAS Registry Number

  • 142203-64-3

System Generated Number

  • 0142203643

Structure Descriptors

InChI

1S/C28H40O12/c1-12-17(37-13(2)29)10-28(35)24(40-16(5)32)22-26(8,18(33)9-19(38-14(3)30)27(22)11-36-27)23(34)21(39-15(4)31)20(12)25(28,6)7/h17-19,21-24,33-35H,9-11H2,1-8H3/t17-,18-,19-,21+,22-,23-,24-,26+,27?,28+/m0/s1

InChIKey

WJMBBODKITXTJA-YHGXYTIQSA-N

Smiles

C=12[C@H]([C@@H]([C@@]3([C@H]([C@@H]([C@@](C[C@@H](C1C)OC(C)=O)(C2(C)C)O)OC(C)=O)[C@@]1([C@H](C[C@@H]3O)OC(C)=O)OC1)C)O)OC(C)=O