8-O-ACETYLSHANZHISIDE METHYL ESTER

CAS No.
57420-46-9
CCD No.
CCD02380473
Formula
C19 H28 O12
MolWeight
448.418

Basic Information

Product Name: 8-O-ACETYLSHANZHISIDE METHYL ESTER
CAS: 57420-46-9
English Synonyms: 8-O-ACETYLSHANZHISIDE METHYL ESTER ; BARLERIN
MDL Number.: MFCD15071141
H bond acceptor: 12
H bond donor: 5
Smile: CC(=O)O[C@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
InChi: InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1
InChiKey: InChIKey=ARFRZOLTIRQFCI-NGQYDJQZSA-N

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