Molecular Structure:
CAS No.:
84773-08-0
Product Name.:
CCD No.:CCD00658882
Formula:C29 H40 O9
MolWeight:532.626
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| Product Name： | ISORORIDIN A |
| CAS： | 84773-08-0 |
| English Synonyms： | ISORORIDIN A |
| MDL Number.： | MFCD08457934 |
| H bond acceptor： | 9 |
| H bond donor： | 2 |
| Smile： | C[C@@H]1CCO[C@H](/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CCC(=C[C@H]5O3)C)COC(=O)[C@H]1O)C)CO4)[C@H](C)O |
| InChi： | InChI=1S/C29H40O9/c1-17-9-11-28-15-35-26(33)25(32)18(2)10-12-34-20(19(3)30)7-5-6-8-24(31)38-21-14-23(37-22(28)13-17)29(16-36-29)27(21,28)4/h5-8,13,18-23,25,30,32H,9-12,14-16H2,1-4H3/b7-5+,8-6-/t18-,19+,20-,21-,22-,23-,25+,27-,28-,29+/m1/s1 |
| InChiKey： | InChIKey=NSFWWJIQIKBZMJ-NYUDFZJYSA-N |
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