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Substance Name: o-Cinnamoyltaxicin-i triacetate
RN: 13452-36-3
UNII: 90GH5S97P8
InChIKey: VBLNERPSGWCFQJ-NINUBRFRSA-N

Molecular Formula

  • C35-H42-O10

Molecular Weight

  • 622.7068
 
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Names and Synonyms

Name of Substance

  • o-Cinnamoyltaxicin-i triacetate

Synonyms

  • 1-Hydroxytaxinine
  • 2-Propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-5,11,12-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6-hydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester, (2E)-
  • 5-Cinnamoyltaxicin I 2,9,10-triacetate
  • Cinnamic acid, 5-ester with taxicin I, 2,9,10-triacetate
  • o-Cinnamoyltaxicin-i triacetate
  • o-Cinnamoyltaxicin-i triacetate [MI]
  • Taxicin I, triacetate, cinnamate
  • UNII-90GH5S97P8

Registry Numbers

CAS Registry Number

  • 13452-36-3

FDA UNII

  • 90GH5S97P8

System Generated Number

  • 0013452363

Structure Descriptors

InChI

1S/C35H42O10/c1-19-25(39)18-35(41)31(43-22(4)37)29-20(2)26(45-27(40)15-14-24-12-10-9-11-13-24)16-17-34(29,8)32(44-23(5)38)30(42-21(3)36)28(19)33(35,6)7/h9-15,26,29-32,41H,2,16-18H2,1,3-8H3/b15-14+/t26-,29-,30+,31-,32-,34+,35+/m0/s1

InChIKey

VBLNERPSGWCFQJ-NINUBRFRSA-N

Smiles

CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)/C=C/c4ccccc4)C)OC(=O)C)OC(=O)C