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Substance Name: Taxinine
RN: 3835-52-7
UNII: B7554596HX
InChIKey: BAYHEZUZRPMUDM-RZHPVIQDSA-N

Note

  • From Taxus cuspidata as modulators of multidrug-resistant tumor cells.

Molecular Formula

  • C35-H42-O9

Molecular Weight

  • 606.7078
 
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Names and Synonyms

Name of Substance

  • Taxinine

Synonyms

  • 2-Propenoic acid, 3-phenyl-, (3S,4aR,5R,6R,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (2E)-
  • Cinnamic acid, 3-ester with 1,3,4,4aalpha,5,6beta,7,11,12,12a-decahydro-3alpha,5alpha,11beta,12alpha-tetrahydroxy-9,12abeta,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-8(2H)-one triacetate
  • o-Cinnamoyltaxicin-ii triacetate [MI]
  • Taxinin
  • Taxinine
  • Taxinine, (+)-
  • UNII-B7554596HX

Registry Numbers

CAS Registry Number

  • 3835-52-7

FDA UNII

  • B7554596HX

System Generated Number

  • 0003835527

Structure Descriptors

InChI

InChI=1S/C35H42O9/c1-19-26(39)18-25-31(41-21(3)36)30-20(2)27(44-28(40)15-14-24-12-10-9-11-13-24)16-17-35(30,8)33(43-23(5)38)32(42-22(4)37)29(19)34(25,6)7/h9-15,25,27,30-33H,2,16-18H2,1,3-8H3/b15-14+/t25-,27-,30-,31+,32+,33-,35+/m0/s1

InChIKey

BAYHEZUZRPMUDM-RZHPVIQDSA-N

Smiles

CC(=O)O[C@@H]1[C@@H]2CC(=O)C(=C([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]3(C)CC[C@H](OC(=O)\C=C\c4ccccc4)C(=C)[C@@H]13)C2(C)C)C