CAS Registry Number®
104012-37-5
CAS Name
Tussilagone
Molecular Formula
C23H34O5
Molecular Mass
390.51
Other Names and Identifiers
InChI
InChI=1S/C23H34O5/c1-8-13(4)9-21(26)28-20-11-17(12(2)3)23-18(14(20)5)10-19(25)22(23)15(6)27-16(7)24/h9,12,15,17-18,20,22-23H,5,8,10-11H2,1-4,6-7H3/b13-9+/t15-,17+,18+,20-,22+,23+/m1/s1
InChIKey
InChIKey=CFUPNMDNSQIWBB-UUVDBSHOSA-N
SMILES
[C@@H](OC(C)=O)(C)[C@@]1([C@@]2([C@](C(=C)[C@H](OC(/C=C(/CC)\C)=O)C[C@H]2[C@H](C)C)(CC1=O)[H])[H])[H]
Canonical SMILES
O=C(OC1C(=C)C2CC(=O)C(C(OC(=O)C)C)C2C(C1)C(C)C)C=C(C)CC
Other Names for this Substance
- 2-Pentenoic acid, 3-methyl-, (1S,3aR,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2E)-
- 2-Pentenoic acid, 3-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, [1S-[1α(S*),3aβ,5β(E),7α,7aα]]-
- L 652469
- Tussilagone
