(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid

CAS Registry Number®

125-66-6
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CAS Name

(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid

Molecular Formula

C24H34O6

Molecular Mass

418.52

Cite this Page

(4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=125-66-6 (retrieved 2024-05-11) (CAS RN: 125-66-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-179 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O6/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(29)30)16(24)10-13(14)17(19(25)26)18(24)20(27)28/h11-13,15-18H,5-10H2,1-4H3,(H,25,26)(H,27,28)(H,29,30)/t13-,15+,16+,17+,18+,22-,23+,24-/m0/s1

InChIKey

InChIKey=PXYRCOIAFZBLBN-HQJFNQTASA-N

SMILES

C(O)(=O)[C@@H]1[C@@]23[C@@]([C@]4(C)[C@@](CC2)([C@@](C(O)=O)(C)CCC4)[H])(C[C@]([C@H]1C(O)=O)(C(C(C)C)=C3)[H])[H]

Canonical SMILES

O=C(O)C1C2C(=CC3(CCC4C(C(=O)O)(C)CCCC4(C)C3C2)C1C(=O)O)C(C)C

Other Names for this Substance

  • 17,19-Dinoratis-15-ene-4,13,14-tricarboxylic acid, 16-(1-methylethyl)-, (4α,8α,12α,13R,14S)-
  • Atis-13-ene-17,18-dioic acid, 15α-carboxy-13-isopropyl-
  • Fumaropimaric acid
  • 3H-3,10a-Ethanophenanthrene, 17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid deriv.
  • (4α,8α,12α,13R,14S)-16-(1-Methylethyl)-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid

Deleted or Replaced CAS Registry Numbers

19742-24-6, 21654-14-8, 29283-39-4, 2097107-48-5

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