13-DEACETYLTAXCHININ I

pro_cas
168206-79-9
pro_cdbregno
CCD00421075
pro_formula
C38 H44 O12
pro_molWeight
692.754

basic_info

Product_Name: 13-DEACETYLTAXCHININ I
CAS: 168206-79-9
EnglishSynonyms: 13-DEACETYLTAXCHININ I ; DEACETYLTAXCHININ I, 13-
pro_mdlNumber: MFCD03840552
pro_acceptors: 12
pro_donors: 3
pro_smile: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)c6ccccc6)O
InChi: InChI=1S/C38H44O12/c1-20-25(41)18-37(35(4,5)45)28(20)29(42)31(48-33(43)23-13-9-7-10-14-23)36(6)26(47-21(2)39)17-27-38(19-46-27,50-22(3)40)30(36)32(37)49-34(44)24-15-11-8-12-16-24/h7-16,25-27,29-32,41-42,45H,17-19H2,1-6H3/t25-,26-,27+,29+,30-,31-,32-,36+,37-,38-/m0/s1
InChiKey: InChIKey=DBJLWWSPTOJTSZ-FVIOHNRGSA-N

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