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Substance Name: o-Cinnamoyltaxicin-i
RN: 11034-45-0
UNII: 7IR97P1VXE
InChIKey: LMHMWINKBZRNRU-PDBYPBKASA-N

Molecular Formula

  • C29-H36-O7

Molecular Weight

  • 496.5964
 
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Names and Synonyms

Name of Substance

  • o-Cinnamoyltaxicin-i

Synonyms

  • 2-Propenoic acid, 3-phenyl-, (3S,4aR,5S,6S,11R,12R,12aR)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-5,6,11,12-tetrahydroxy-9,12a,13,13-tetramethyl-4-methylene-8-oxo-6,10-methanobenzocyclodecen-3-yl ester
  • 5alpha-Cinnamoyltaxicin I
  • o-Cinnamoyltaxicin-i
  • o-Cinnamoyltaxicin-i [MI]
  • Taxicin I, monocinnamate
  • Taxicin I, o-cinnamoyl-
  • UNII-7IR97P1VXE

Registry Numbers

CAS Registry Number

  • 11034-45-0

FDA UNII

  • 7IR97P1VXE

System Generated Number

  • 0011034450

Structure Descriptors

InChI

1S/C29H36O7/c1-16-19(30)15-29(35)25(33)23-17(2)20(36-21(31)12-11-18-9-7-6-8-10-18)13-14-28(23,5)26(34)24(32)22(16)27(29,3)4/h6-12,20,23-26,32-35H,2,13-15H2,1,3-5H3/b12-11+/t20-,23-,24+,25-,26-,28+,29+/m0/s1

InChIKey

LMHMWINKBZRNRU-PDBYPBKASA-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)O)OC(=O)/C=C/c4ccccc4)C)O)O