Basic Information |
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Product Name: | SERPENTININE |
CAS: | 36519-42-3 |
English Synonyms: | SERPENTININE |
MDL Number.: | MFCD20260561 |
H bond acceptor: | 9 |
H bond donor: | 1 |
Smile: | C/C=C\1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1[C@H](Cc5c[n+]6c(c7c5c8ccccc8[n-]7)C[C@H]9[C@H](C6)[C@@H](OC=C9C(=O)OC)C)C(=O)OC |
InChi: | InChI=1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/b24-5-/t23-,29-,30-,31-,32+,36-/m0/s1 |
InChiKey: | InChIKey=QWAUBSSAJRGKPX-XKMAVODYSA-N |
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