Basic Information |
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Product Name: | BENZOYLHYPACOITINE |
CAS: | 63238-66-4 |
English Synonyms: | BENZOYLHYPACOITINE |
MDL Number.: | MFCD01673481 |
H bond acceptor: | 10 |
H bond donor: | 3 |
Smile: | CN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC |
InChi: | InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20+,21+,22-,23?,24+,25-,26+,28+,29-,30+,31-/m1/s1 |
InChiKey: | InChIKey=MDFCJNFOINXVSU-SQZQQIIISA-N |
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