Carboxyatractyloside
CAS Registry Number®
33286-30-5
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CAS Name
CarboxyatractylosideMolecular Formula
C31H46O18S2.2KCite this Page
Carboxyatractyloside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=33286-30-5 (retrieved ) (CAS RN: 33286-30-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H46O18S2.2K/c1-14(2)9-21(33)47-24-23(49-51(42,43)44)22(48-50(39,40)41)18(13-32)46-26(24)45-17-11-29(4)19-6-5-16-10-30(19,25(34)15(16)3)8-7-20(29)31(12-17,27(35)36)28(37)38;;/h14,16-20,22-26,32,34H,3,5-13H2,1-2,4H3,(H,35,36)(H,37,38)(H,39,40,41)(H,42,43,44);;/t16-,17+,18-,19+,20+,22-,23+,24-,25+,26-,29+,30-;;/m1../s1
InChIKey
InChIKey=RWEZIQDTEROURZ-WWJHHVHBSA-N
SMILES
C[C@]12[C@]3([C@]4(C[C@@](CC3)(C(=C)[C@@H]4O)[H])CC[C@@]1(C(C(O)=O)(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)C2)[H])[H].[K]
Canonical SMILES
[K].O=C(OC1C(OC2CC(C(=O)O)(C(=O)O)C3CCC45CC(C(=C)C4O)CCC5C3(C)C2)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O)CC(C)C
Other Names for this Substance
- Kaur-16-ene-18,19-dioic acid, 15-hydroxy-2-[[2-O-(3-methyl-1-oxobutyl)-3,4-di-O-sulfo-β-D-glucopyranosyl]oxy]-, dipotassium salt, (2β,15α)-
- 1H-2,10a-Ethanophenanthrene, kaur-16-ene-18,19-dioic acid deriv.
- Gummiferin
- Dipotassium carboxyatractyloside
- Carboxyatractyloside
Deleted or Replaced CAS Registry Numbers
35988-26-2
