Cyclohept[e]indene-8-carboxylic acid, 2,3,3a,4,5,5a,6,7-octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)-, monosodium salt, (3aR,5aR,6S)-

CAS Registry Number®

178120-49-5
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CAS Name

Cyclohept[e]indene-8-carboxylic acid, 2,3,3a,4,5,5a,6,7-octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)-, monosodium salt, (3aR,5aR,6S)-

Molecular Formula

C25H36O7.Na

Cite this Page

Cyclohept[e]indene-8-carboxylic acid, 2,3,3a,4,5,5a,6,7-octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)-, monosodium salt, (3aR,5aR,6S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178120-49-5 (retrieved 2024-09-19) (CAS RN: 178120-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O7.Na/c1-13(2)15-7-8-24(3)9-10-25(4)16(19(15)24)6-5-14(22(29)30)11-18(25)32-23-21(28)20(27)17(26)12-31-23;/h5-6,13,17-18,20-21,23,26-28H,7-12H2,1-4H3,(H,29,30);/t17-,18+,20+,21-,23+,24-,25-;/m1./s1

InChIKey

InChIKey=CZUIMMDTPLSXBJ-JRPDWERQSA-N

SMILES

C[C@]12C(C=3[C@](C)([C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)CC(C(O)=O)=CC3)CC1)=C(C(C)C)CC2.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC=C2C3=C(CCC3(C)CCC2(C)C(OC4OCC(O)C(O)C4O)C1)C(C)C

Other Names for this Substance

  • Cyclohept[e]indene-8-carboxylic acid, 2,3,3a,4,5,5a,6,7-octahydro-3a,5a-dimethyl-1-(1-methylethyl)-6-(β-D-xylopyranosyloxy)-, monosodium salt, (3aR,5aR,6S)-
  • Erinacin H
  • Erinacine H

Deleted or Replaced CAS Registry Numbers

197305-54-7