Nomilin

CAS	1063-77-0
Structure
Synonyms	1-(Acetyloxy)-1,2-dihydroobacunoic acid epislon-lactone
IUPAC Name	[(1R,2R,4S,7S,8S,11R,12R,13S,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl] acetate
Molecular Weight	514.56
Molecular Formula	C28H34O9
Canonical SMILES	CC(=O)O[C@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C
InChI	InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1
InChI Key	KPDOJFFZKAUIOE-WNGDLQANSA-N
Boiling Point	657.7±55.0 °C
Melting Point	278-279 °C
Purity	98%
Density	1.33±0.1 g/ml
Appearance	White powder