CAS 104736-09-6 4E-Deacetylchromolaenide 4'-O-Acetate

Catalog Number	ACM104736096
Product Name	4E-Deacetylchromolaenide 4'-O-Acetate
CAS Number	104736-09-6
IUPAC Name	[(3aR,4R,6Z,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-methylbut-2-enoate
Synonyms	2-Butenoic Acid, 4-(Acetyloxy)-2-Methyl-, (3Ar,4R,6Z,9S,11Ar)-2,3,3A,4,5,8,9,11A-Octahydro-9-Hydroxy-6,10-Dimethyl-3-Methylene-2-Oxocyclodeca[B]Furan-4-Yl Ester, (2E)-
Molecular Weight	404.45
Molecular Formula	C22H28O7
Canonical SMILES	CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCOC(=O)C)C)C(=C)C(=O)O2)C)O
Inchi	InChI=1S/C22H28O7/c1-12-6-7-17(24)14(3)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)13(2)8-9-27-16(5)23/h6,8,11,17-20,24H,4,7,9-10H2,1-3,5H3/b12-6-,13-8+,14-11+/t17-,18+,19+,20+/m0/s1
InChIKey	DULROFCOEMAPJD-QDPYXRKDSA-N
Boiling Point	574.0±50.0 °C at 760 mmHg
Flash Point	195.0±23.6 °C
Purity	98%
Density	1.2±0.1 g/cm3
Appearance	Powder
Refractive Index	1.541