Atractyloside

CAS Registry Number®

17754-44-8

CAS Name

Atractyloside

Molecular Formula

C30H46O16S2.2K

Cite this Page

Atractyloside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17754-44-8 (retrieved 2024-11-22) (CAS RN: 17754-44-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    157-158 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28-,29-,30-;;/m1../s1

InChIKey

InChIKey=NGDIKNWBAWZRRJ-FNAJZLPOSA-N

SMILES

O[C@@H]1[C@]23[C@]([C@@]4(C)[C@](CC2)([C@H](C(O)=O)C[C@@H](O[C@H]5[C@H](OC(CC(C)C)=O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](CO)O5)C4)[H])(CC[C@](C3)(C1=C)[H])[H].[K]

Canonical SMILES

[K].O=C(O)C1CC(OC2OC(CO)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C2OC(=O)CC(C)C)CC3(C)C1CCC45CC(C(=C)C4O)CCC35

Other Names for this Substance

  • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-, potassium salt (1:2), (2β,4α,15α)-
  • 19-Norkaur-16-en-18-oic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-, dipotassium salt, (2β,4α,15α)-
  • Atractyloside
  • 1H-2,10a-Ethanophenanthrene, 19-norkaur-16-en-18-oic acid deriv.
  • Atractylin (C30 glucoside)

View All

Deleted or Replaced CAS Registry Numbers

1398-14-7, 11002-87-2, 11016-37-8, 17731-09-8, 18971-15-8, 41585-92-6, 100938-05-4, 880259-31-4

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