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Substance Name: Inerminoside A
RN: 155834-20-1
InChIKey: MKUPMRFUZAZQDJ-ZRPBMBJESA-N

Note

  • An iridoid glycoside from Clerodendrum inerme.

Molecular Formula

  • C31-H48-O16

Molecular Weight

  • 676.7042
 
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Names and Synonyms

Name of Substance

  • Inerminoside A

Synonyms

  • 2'-O-(5''-O-(8-Hydroxy-2,6-dimethyl-2-octenoyl)-beta-D-apiofuranosyl)mussaenosidic acid
  • Inerminoside A

Systematic Names

  • Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydo-7-hydroxy-1-((2-O-(5-O-(8-hydroxy-2,6-dimethyl-1-oxo-2-o ctenyl)-D-apio-beta-D-furanosyl)-beta-D-glucopyranosyl)oxy)-7-methyl-
  • Cyclopenta(c)pyran-4-carboxylic acid, 1,4a,5,6,7,7a-hexahydro-7-hydroxy-1-((2-O-(5-O-(8-hydroxy-2,6-dimethyl-1-oxo-2-octenyl)-D-apio-beta-D-furanosyl)-beta-D-glucopyranosyl)oxy)-7-methyl-

Registry Numbers

CAS Registry Number

  • 155834-20-1

System Generated Number

  • 0155834201

Structure Descriptors

InChI

1S/C31H48O16/c1-14(7-8-32)5-4-6-15(2)27(40)43-12-31(41)13-44-30(25(31)37)46-24-23(36)22(35)20(10-33)45-29(24)47-28-21-16(3)19(34)9-17(21)18(11-42-28)26(38)39/h6,11,14,16-17,19-25,28-30,32-37,41H,4-5,7-10,12-13H2,1-3H3,(H,38,39)/b15-6+/t14?,16-,17-,19+,20-,21-,22-,23+,24-,25-,28+,29+,30+,31+/m1/s1

InChIKey

MKUPMRFUZAZQDJ-ZRPBMBJESA-N

Smiles

CC(CCO)CC\C=C(/C)\C(=O)OC[C@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@H]3OC=C([C@H]4C[C@H](O)[C@@H](C)[C@@H]34)C(=O)O)[C@H]1O