CAS Registry Number®
73069-13-3
CAS Name
Atractylenolide I
Molecular Formula
C15H18O2
Molecular Mass
230.30
Compound Properties
-
Melting Point (1)
121-123 °C
Source(s)
- (1) Dong, Haiyan; Natural Product Research, (2008), 22(16), 1418-1427, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1
InChIKey
InChIKey=ZTVSGQPHMUYCRS-SWLSCSKDSA-N
SMILES
C[C@]12[C@@](CC=3C(=C1)OC(=O)C3C)(C(=C)CCC2)[H]
Canonical SMILES
O=C1OC2=CC3(C)CCCC(=C)C3CC2=C1C
Other Names for this Substance
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS,8aS)-
- Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a-hexahydro-3,8a-dimethyl-5-methylene-, (4aS–trans)-
- (4aS,8aS)-4a,5,6,7,8,8a-Hexahydro-3,8a-dimethyl-5-methylenenaphtho[2,3-b]furan-2(4H)-one
- Atractylenolide I
