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4β,25-Dihydroxy Vitamin D3 , CAS No.573951-39-0
Basic Description
Synonyms | 573951-39-0 | 4BETA,25-DIHYDROXY VITAMIN D3 | (1S,2R,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2-diol | DTXSID40747684 | (3S,4R,5E,7E)-9,10-Secocho |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | (1S,2R,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,2-diol |
INCHI | InChI=1S/C27H44O3/c1-18-10-15-24(28)25(29)21(18)12-11-20-9-7-17-27(5)22(13-14-23(20)27)19(2)8-6-16-26(3,4)30/h11-12,19,22-25,28-30H,1,6-10,13-17H2,2-5H3/b20-11+,21-12+/t19-,22-,23+,24+,25-,27-/m1/s1 |
InChi Key | XJPACCVLRWWBGH-KOHSFIOWSA-N |
Canonical SMILES | CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3C(C(CCC3=C)O)O)C |
Isomeric SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\[C@H]([C@H](CCC3=C)O)O)C |
PubChem CID | 71316275 |
Molecular Weight | 416.64 |
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