Tussilagonone
CAS Registry Number®
110042-38-1
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CAS Name
TussilagononeMolecular Formula
C21H30O3Molecular Mass
330.46Cite this Page
Tussilagonone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=110042-38-1 (retrieved ) (CAS RN: 110042-38-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H30O3/c1-7-13(5)9-20(23)24-19-11-16(12(3)4)21-15(8-2)18(22)10-17(21)14(19)6/h8-9,12,16-17,19,21H,6-7,10-11H2,1-5H3/b13-9+,15-8+/t16-,17-,19+,21-/m0/s1
InChIKey
InChIKey=ORVROQPLYIDWBD-QWCDRRILSA-N
SMILES
[C@H](C)(C)[C@H]1[C@]\2([C@](C(=C)[C@H](OC(/C=C(/CC)\C)=O)C1)(CC(=O)/C2=C\C)[H])[H]
Canonical SMILES
O=C(OC1C(=C)C2CC(=O)C(=CC)C2C(C1)C(C)C)C=C(C)CC
Other Names for this Substance
- 2-Pentenoic acid, 3-methyl-, (1Z,3aR,5R,7S,7aS)-1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2E)-
- 2-Pentenoic acid, 3-methyl-, 1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [3aR-[1Z,3aα,5α(E),7β,7aβ]]-
- Tussilagonone I
- Tussilagonone