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Substance Name: Nimbin
RN: 5945-86-8
UNII: N4CTG7K9IU
InChIKey: NHOIBRJOQAYBJT-IMGVWCFESA-N

Note

  • From Neem seed (Azadirachta indica).

Molecular Formula

  • C30-H36-O9

Molecular Weight

  • 540.6054
 
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Names and Synonyms

Name of Substance

  • Nimbin

Synonym

  • UNII-N4CTG7K9IU

Systematic Names

  • 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylic acid, 6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-, dimethyl ester, (4alpha,5alpha,6alpha,7alpha,15beta,17alpha)-
  • 2H-Cyclopenta(b)naphtho(2,3-d)furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetamethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-

Registry Numbers

CAS Registry Number

  • 5945-86-8

FDA UNII

  • N4CTG7K9IU

System Generated Number

  • 0005945868

Structure Descriptors

InChI

1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1

InChIKey

NHOIBRJOQAYBJT-IMGVWCFESA-N

Smiles

CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4OC(=O)C)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C