Genipin gentiobioside

CAS Registry Number®

29307-60-6

CAS Name

Genipin gentiobioside

Molecular Formula

C23H34O15

Molecular Mass

550.51

Cite this Page

Genipin gentiobioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29307-60-6 (retrieved 2024-11-23) (CAS RN: 29307-60-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21+,22-,23+/m1/s1

InChIKey

InChIKey=FYZYXYLPBWLLGI-AUOPOVQUSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(OC)=O)=CO1)(CC=C2CO)[H])[H])[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(OC)C1=COC(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C4C(=CCC14)CO

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S,4aS,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1α-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4aα,5,7aα-tetrahydro-7-(hydroxymethyl)-, methyl ester
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, methyl ester, [1S-(1α,4aα,7aα)]-
  • Glucopyranoside, genipin-1 6-O-β-D-glucopyranosyl-, β-D-
  • Genipin gentiobioside

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Deleted or Replaced CAS Registry Numbers

1638210-70-4

CAS INSIGHTSTM
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