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Substance Name: 7,9-Dideacetylbaccatin VI
RN: 142203-65-4
InChIKey: WPPPFZJNKLMYBW-FAEUQDRCSA-N

Note

  • From the stem barks of Taxus chinensis.

Molecular Formula

  • C33-H42-O12

Molecular Weight

  • 630.6828
 
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Names and Synonyms

Name of Substance

  • 7,9-Dideacetylbaccatin VI

Synonyms

  • 7,9-Dideacetyl baccatin VI
  • Ddabvi

Systematic Name

  • 7,11-Methano-1H-cyclodeca(3,4)benz(1,2-b)oxete-4,5,6,9,11,12,12b-heptol, 2a,3,4,4a,5,6,9,10,12,12a-decahydro-4a,8,13,13-tetramethyl-, 6,9,12b-triacetate 12-benzoate, (2aR-(2aalpha,4beta,4abeta,5alpha,6beta,9alpha,11alpha,12alpha,12aalph,12balpha))-

Registry Numbers

CAS Registry Number

  • 142203-65-4

System Generated Number

  • 0142203654

Structure Descriptors

InChI

1S/C33H42O12/c1-16-21(42-17(2)34)14-33(40)28(44-29(39)20-11-9-8-10-12-20)26-31(7,22(37)13-23-32(26,15-41-23)45-19(4)36)27(38)25(43-18(3)35)24(16)30(33,5)6/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22-,23+,25+,26-,27-,28-,31+,32-,33+/m0/s1

InChIKey

WPPPFZJNKLMYBW-FAEUQDRCSA-N

Smiles

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