Cinerin I

CAS Registry Number®

25402-06-6
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CAS Name

Cinerin I

Molecular Formula

C20H28O3

Molecular Mass

316.43

Cite this Page

Cinerin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25402-06-6 (retrieved 2024-05-01) (CAS RN: 25402-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    136-138 °C @ Press: 8 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/C20H28O3/c1-7-8-9-14-13(4)17(11-16(14)21)23-19(22)18-15(10-12(2)3)20(18,5)6/h7-8,10,15,17-18H,9,11H2,1-6H3/b8-7-/t15-,17+,18+/m1/s1

InChIKey

InChIKey=FMTFEIJHMMQUJI-DFKXKMKHSA-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)C)C2(C)C

Canonical SMILES

O=C(OC1C(=C(C(=O)C1)CC=CC)C)C2C(C=C(C)C)C2(C)C

Other Names for this Substance

  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1S)-3-(2Z)-2-butenyl-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R,3R)-
  • Cinerin I
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-(2-butenyl)-4-hydroxy-3-methyl-2-cyclopenten-1-one
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, [1R-[1α[S*(Z)],3β]]-
  • Cinerin

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Deleted or Replaced CAS Registry Numbers

22467-84-1, 39711-72-3

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