Ecabet

CAS Registry Number®

33159-27-2

CAS Name

Ecabet

Molecular Formula

C20H28O5S

Molecular Mass

380.50

Cite this Page

Ecabet.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33159-27-2 (retrieved 2024-11-22) (CAS RN: 33159-27-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O5S/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25)/t17-,19-,20-/m1/s1

InChIKey

InChIKey=IWCWQNVIUXZOMJ-MISYRCLQSA-N

SMILES

C[C@@]12C=3C(=CC(C(C)C)=C(S(=O)(=O)O)C3)CC[C@]1([C@@](C(O)=O)(C)CCC2)[H]

Canonical SMILES

O=C(O)C1(C)CCCC2(C=3C=C(C(=CC3CCC12)C(C)C)S(=O)(=O)O)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, (1R,4aS,10aR)-
  • Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-12-sulfo-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, [1R-(1α,4aβ,10aα)]-
  • Abietic acid, dehydro-6-sulfo-
  • (1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-1-phenanthrenecarboxylic acid

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration