CAS Registry Number®
73030-71-4
CAS Name
Atractylenolide III
Molecular Formula
C15H20O3
Molecular Mass
248.32
Compound Properties
-
Melting Point (1)
166-169 °C
Source(s)
- (1) Duan, Jin-ao; Archives of Pharmacal Research, (2008), 31(8), 965-969, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKey
InChIKey=FBMORZZOJSDNRQ-GLQYFDAESA-N
SMILES
O[C@@]12C(C[C@@]3([C@@](C)(C1)CCCC3=C)[H])=C(C)C(=O)O2
Canonical SMILES
O=C1OC2(O)C(=C1C)CC3C(=C)CCCC3(C)C2
Other Names for this Substance
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)-
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-9a-hydroxy-3,8a-dimethyl-5-methylene-, [4aS-(4aα,8aβ,9aβ)]-
- (4aS,8aR,9aS)-4a,5,6,7,8,8a,9,9a-Octahydro-9a-hydroxy-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
- Atractylenolide III
- Codonolactone
- 8β-Hydroxyasterolide
- Atractylenolide β
