Cinerin II
CAS Registry Number®
121-20-0
CAS Name
Cinerin IIMolecular Formula
C21H28O5Molecular Mass
360.44Cite this Page
Cinerin II. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=121-20-0 (retrieved ) (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)-
Deleted or Replaced CAS Registry Numbers
39668-03-6