Basic Information |
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Product Name: | CRYPTOPORIC ACID D |
CAS: | 119979-95-2 |
English Synonyms: | CRYPTOPORIC ACID D |
MDL Number.: | MFCD02752447 |
H bond acceptor: | 14 |
H bond donor: | 2 |
Smile: | C[C@@]12CCC[C@]3([C@H]1CCC(=C)[C@@H]3CO[C@H]([C@@H](C(=O)OC[C@@]4(CCC[C@]5([C@H]4CCC(=C)[C@@H]5CO[C@H]([C@@H](C(=O)OC2)CC(=O)O)C(=O)OC)C)C)CC(=O)O)C(=O)OC)C |
InChi: | InChI=1S/C44H64O14/c1-25-11-13-31-41(3)15-9-17-43(31,5)29(25)21-55-35(39(51)53-7)27(19-33(45)46)37(49)58-24-42(4)16-10-18-44(6)30(26(2)12-14-32(42)44)22-56-36(40(52)54-8)28(20-34(47)48)38(50)57-23-41/h27-32,35-36H,1-2,9-24H2,3-8H3,(H,45,46)(H,47,48)/t27-,28-,29-,30-,31-,32-,35+,36+,41-,42-,43+,44+/m0/s1 |
InChiKey: | InChIKey=OXFMLGZWGZNFCM-UOXLEDAOSA-N |
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