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Basic Information |
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Product Name: | ISOAPOPTOLIDIN |
CAS: | 476647-30-0 |
English Synonyms: | ISOAPOPTOLIDIN |
MDL Number.: | MFCD11111609 |
H bond acceptor: | 21 |
H bond donor: | 8 |
Smile: | C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@H]([C@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)O)[C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)\C)\C)\C |
InChi: | InChI=1S/C58H96O21/c1-29-17-16-18-40(59)44(69-13)25-41(60)54(78-55(65)33(5)23-31(3)21-30(2)22-32(4)42(20-19-29)76-56-51(64)50(63)52(71-15)37(9)74-56)58(67)35(7)48(61)34(6)43(79-58)24-39(28-68-12)75-47-27-57(11,66)53(38(10)73-47)77-46-26-45(70-14)49(62)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41+,42-,43-,44+,45-,46+,47+,48+,49-,50+,51+,52+,53+,54-,56+,57+,58-/m1/s1 |
InChiKey: | InChIKey=BGIXVQPJBLGABA-PVLPSINKSA-N |
* If the product has intellectual property rights, a license granted is must or contact us.