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Substance Name: Taxinine M
RN: 135730-55-1
InChIKey: NLPSSNXRGVDJMP-NTOIUUNRSA-N

Note

  • Tetracyclic taxane for Taxus brevifolia.

Molecular Formula

  • C35-H42-O14

Molecular Weight

  • 686.703
 
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Names and Synonyms

Name of Substance

  • Taxinine M

Systematic Name

  • 1,4-Ethanobenzo(5,6)cycloocta(1,2-c)furan-13-one, 5,9,10,11-tetrakis(acetyloxy)-9a-((benzoyloxy)methyl)tetradecahydro-7,11a-dihydroxy-1,3a-dimethyl-6-methylene-, (1S-(1alpha,3abeta,4alpha,5alpha,5aalpha,7alpha,9beta,9abeta,10alpha,11beta,11abeta))-

Registry Numbers

CAS Registry Number

  • 135730-55-1

System Generated Number

  • 0135730551

Structure Descriptors

InChI

1S/C35H42O14/c1-17-23(40)13-25(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)26(17)28(47-19(3)37)27-24(41)14-33(7)35(43,32(27,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23,25-30,40,43H,1,13-16H2,2-7H3/t23-,25-,26-,27-,28+,29-,30-,32-,33-,34+,35-/m0/s1

InChIKey

NLPSSNXRGVDJMP-NTOIUUNRSA-N

Smiles

O1[C@@]2([C@@]3([C@@](C1)([C@@H]([C@@H]([C@H]1[C@@]([C@H]([C@@H]3OC(=O)C)OC(=O)C)([C@H](C[C@@H](C1=C)O)OC(=O)C)COC(c1ccccc1)=O)OC(=O)C)C(C2)=O)C)O)C