Tussilagone

CAS Registry Number®

104012-37-5
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CAS Name

Tussilagone

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

Tussilagone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=104012-37-5 (retrieved 2024-05-04) (CAS RN: 104012-37-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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

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