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25-Hydroxy vitamin D2 3,3′-aminopropyl ether , CAS No.932023-11-5
Basic Description
Synonyms | 932023-11-5|25-Hydroxy Vitamin D2 3,3'-Aminopropyl Ether (>90per cent)|(E,3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-ol|DTXS |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (E,3S,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-(3-aminopropoxy)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-en-2-ol |
INCHI | InChI=1S/C31H51NO2/c1-22-11-15-27(34-20-8-19-32)21-26(22)14-13-25-9-7-18-31(6)28(16-17-29(25)31)23(2)10-12-24(3)30(4,5)33/h10,12-14,23-24,27-29,33H,1,7-9,11,15-21,32H2,2-6H3/b12-10+,25-13+,26-14-/t23-,24+,27+,28-,29+,31-/m1/s1 |
InChi Key | JXYGWTCEEVHERK-QABRARCPSA-N |
Canonical SMILES | CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)OCCCN)C |
Isomeric SMILES | C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C |
PubChem CID | 71749416 |
Molecular Weight | 469.74 |
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