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Substance Name: Monotropein
RN: 5945-50-6
UNII: 0Y61M84O2T
InChIKey: HPWWQPXTUDMRBI-NJPMDSMTSA-N

Note

  • Isolated from the root of Morinda officinalis.

Molecular Formula

  • C16-H22-O11

Molecular Weight

  • 390.339
 
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Names and Synonyms

Name of Substance

  • Monotropein

Synonyms

  • Monotropein
  • Monotropeine
  • NSC 291303
  • NSC 88926
  • UNII-0Y61M84O2T

Systematic Names

  • Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, (1S-(1alpha,4aalpha,7beta,7aalpha))- (9CI)
  • Monotropein (8CI)

Registry Numbers

CAS Registry Number

  • 5945-50-6

FDA UNII

  • 0Y61M84O2T

System Generated Number

  • 0005945506

Structure Descriptors

InChI

1S/C16H22O11/c17-3-8-10(19)11(20)12(21)15(26-8)27-14-9-6(1-2-16(9,24)5-18)7(4-25-14)13(22)23/h1-2,4,6,8-12,14-15,17-21,24H,3,5H2,(H,22,23)/t6-,8-,9-,10-,11+,12-,14+,15+,16+/m1/s1

InChIKey

HPWWQPXTUDMRBI-NJPMDSMTSA-N

Smiles

C1(=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)O)[C@@H]2[C@@](O)(CO)C=C[C@H]12)C(=O)O