Basic Information |
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Product Name: | 2,3,23-TRI(ACETYLOXY)-(2ALPHA,3BETA,4ALPHA)-URS-12-EN-28-OIC ACID |
CAS: | 57688-73-0 |
English Synonyms: | 2,3,23-TRI(ACETYLOXY)-(2ALPHA,3BETA,4ALPHA)-URS-12-EN-28-OIC ACID |
MDL Number.: | MFCD09753357 |
H bond acceptor: | 8 |
H bond donor: | 1 |
Smile: | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)COC(=O)C)OC(=O)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
InChi: | InChI=1S/C36H54O8/c1-20-12-15-36(31(40)41)17-16-34(8)25(29(36)21(20)2)10-11-28-32(6)18-26(43-23(4)38)30(44-24(5)39)33(7,19-42-22(3)37)27(32)13-14-35(28,34)9/h10,20-21,26-30H,11-19H2,1-9H3,(H,40,41)/t20-,21+,26-,27-,28-,29+,30+,32+,33+,34-,35-,36+/m1/s1 |
InChiKey: | InChIKey=WMGQUBGIICLIJJ-QXNXELDTSA-N |
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