Chemical Compound

Orthosphenic acid

CAS Registry Number 86632-20-4
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Orthosphenic acid chemical structure
Primary Record

Orthosphenic acid

In stock
7,392 g
Purity
99.2 %
CAS
86632-20-4

Compound Identifiers & Properties

CAS
86632-20-4
PubChem CID
3086227
SMILES
C[C@@H]1[C@@]23CCC4[C@]([C@@H]2C[C@H]([C@@]1(OC3)O)O)(CC[C@@]5([C@@]4(CC[C@@]6([C@H]5C[C@](CC6)(C)C(=O)O)C)C)C)C
Canonical SMILES
C[C@@H]1[C@@]23CCC4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]45C)[C@@H]2C[C@@H](O)[C@]1(O)OC3

Names & Synonyms

  • Orthosphenic acid
  • AC1MJ5T7
  • SCHEMBL28536427
  • DTXSID301006973
  • CID3086227
  • 86632-20-4
  • (2R,3R,5aR,7bR,9aS,12R,13aR,13bS,15aR,15bS,16R)-2,3-Dihydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid
  • 2,3-Dihydroxy-7b,9a,12,13b,15a,16-hexamethylicosahydro-5H-3,5a-methanochryseno[2,1-c]oxepine-12-carboxylic acid