(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid

CAS Registry Number®

11076-19-0
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CAS Name

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid

Molecular Formula

C28H38O7

Molecular Mass

486.60

Cite this Page

(2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=11076-19-0 (retrieved 2024-04-18) (CAS RN: 11076-19-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1

InChIKey

InChIKey=SHCXABJSXUACKU-WUTQZGRKSA-N

SMILES

C(\C=C\[C@H](C/C=C/CC/C=C/C=C\C[C@H](/C(=C\C=C(\C(O)=O)/C)/C)OC)C)(/CC(O)=O)=C\C(O)=O

Canonical SMILES

O=C(O)C=C(C=CC(C)CC=CCCC=CC=CCC(OC)C(=CC=C(C(=O)O)C)C)CC(=O)O

Other Names for this Substance

  • 2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-, (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-
  • Bongkrekic acid
  • 2,4,8,10,14,18,20-Docosaheptaenedioic acid, 20-(carboxymethyl)-6-methoxy-2,5,17-trimethyl-, [R-[R*,S*-(E,Z,Z,E,E,Z,E)]]-
  • (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(Carboxymethyl)-6-methoxy-2,5,17-trimethyl-2,4,8,10,14,18,20-docosaheptaenedioic acid
  • (-)-Bongkrekic acid

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Deleted or Replaced CAS Registry Numbers

11002-93-0, 12715-13-8, 32839-39-7

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