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Substance Name: Picroside II
RN: 39012-20-9
InChIKey: AKNILCMFRRDTEY-NUGKWEEESA-N

Molecular Formula

  • C23-H28-O13

Molecular Weight

  • 512.4612
 
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Names and Synonyms

Name of Substance

  • Picroside II

Synonyms

  • 6-Vanilloylcatalpol
  • EINECS 254-247-6
  • Picroside II
  • Vanilloyl catalpol

Systematic Name

  • beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxy-3-methoxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Registry Numbers

CAS Registry Number

  • 39012-20-9

Other Registry Number

  • 51014-55-2

System Generated Number

  • 0039012209

Structure Descriptors

InChI

1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1

InChIKey

AKNILCMFRRDTEY-NUGKWEEESA-N

Smiles

COc1cc(ccc1O)C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]5(CO)O[C@@H]25