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Catalog Number | ACM1394485 |
CAS Number | 1394-48-5 |
Structure | ![]() |
Synonyms | (2α,11α,13R)-Hetisan-2,11,13,14-tetrol 2,11-diacetate |
Molecular Weight | 429.5 |
InChI | InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14-,15+,16+,17+,18+,19,20-,21+,22+,23-,24-/m0/s1 |
InChI Key | OGNUSOJAYIHLNS-CGMBEVFJSA-N |
Purity | 90%+ |
Complexity | 966 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 11 |
Exact Mass | 429.21513771 |
Heavy Atom Count | 31 |
Hydrogen Bond Acceptor Count | 7 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | CC(=O)O[C@H]1C[C@@]2(CN3[C@@H]4[C@H]2[C@]5(C1)[C@H]3[C@]6(C([C@H]7[C@H]([C@@H]5[C@]6(C4)CC7=C)O)OC(=O)C)O)C |
Monoisotopic Mass | 429.21513771 |
PhysicalState | Powder |
Rotatable Bond Count | 4 |
Topological Polar Surface Area | 96.3 Ų |
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