Ailanthone

CAS	981-15-7
Structure
Synonyms	13,21-Didehydrochaparrinone
IUPAC Name	(1S,4R,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
Molecular Weight	376.4
Molecular Formula	C20H24O7
Canonical SMILES	CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O
InChI	InChI=1S/C20H24O7/c1-8-4-12(21)16(24)18(3)10(8)5-13-19-7-26-20(25,17(18)19)15(23)9(2)11(19)6-14(22)27-13/h4,10-11,13,15-17,23-25H,2,5-7H2,1,3H3/t10-,11-,13+,15+,16+,17+,18+,19+,20-/m0/s1
InChI Key	WBBVXGHSWZIJST-RLQYZCPESA-N
Boiling Point	641.0±55.0 °C
Melting Point	235-237 °C
Purity	98%
Density	1.47 g/ml
Appearance	Powder