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Catalog Number | ACM12626174 |
CAS Number | 12626-17-4 |
Structure | ![]() |
Synonyms | (5aR)-1,2,3,5a,6,11,12,14aβ-Octahydro-5aβ,6β-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12α-(2-methyl-1-propenyl)-5H,14H-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole-5,14-dione |
Molecular Weight | 479.6 |
InChI | InChI=1S/C27H33N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,24,31,34H,6-7,11-12H2,1-5H3/t19-,21-,24-,27+/m0/s1 |
InChI Key | WEIYXEFMCIRZHC-MWGWWEMPSA-N |
Melting Point | 205-207 °C |
Purity | 95%+ |
Complexity | 941 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 4 |
Exact Mass | 479.24202116 |
Heavy Atom Count | 35 |
Hydrogen Bond Acceptor Count | 5 |
Hydrogen Bond Donor Count | 2 |
Isomeric SMILES | CC(=CCN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N4C(=O)[C@@H]5CCCN5C(=O)[C@@]4([C@H]3O)O)C=C(C)C)C |
Monoisotopic Mass | 479.24202116 |
PhysicalState | Powder |
Rotatable Bond Count | 4 |
Topological Polar Surface Area | 95.2 Ų |
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