Cinerin II

CAS Registry Number®

121-20-0
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CAS Name

Cinerin II

Molecular Formula

C21H28O5

Molecular Mass

360.44

Cite this Page

Cinerin II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=121-20-0 (retrieved 2024-04-29) (CAS RN: 121-20-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    182-184 °C @ Press: 1 x 10-3 Torr

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H28O5/c1-7-8-9-14-13(3)17(11-16(14)22)26-20(24)18-15(21(18,4)5)10-12(2)19(23)25-6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-,12-10+/t15-,17+,18+/m1/s1

InChIKey

InChIKey=SHCRDCOTRILILT-WOBDGSLYSA-N

SMILES

C(O[C@@H]1C(C)=C(C/C=C\C)C(=O)C1)(=O)[C@@H]2[C@@H](/C=C(/C(OC)=O)\C)C2(C)C

Canonical SMILES

O=C(OC)C(=CC1C(C(=O)OC2C(=C(C(=O)C2)CC=CC)C)C1(C)C)C

Other Names for this Substance

  • Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propen-1-yl]-2,2-dimethyl-, (1S)-3-(2Z)-2-buten-1-yl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-
  • Cinerin II
  • Cyclopropaneacrylic acid, 3-carboxy-α,2,2-trimethyl-, (Z)-(1R,3R)-1-methyl ester, ester with (Z)-(R)-2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1α[S*(Z)],3β(E)]]-
  • Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-

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Deleted or Replaced CAS Registry Numbers

39668-03-6

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