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Substance Name: 1-Hydroxy-22-oxavitamin D3
RN: 111687-67-3
InChIKey: OSURJGQBRKBWMU-JRTYMHBXSA-N

Molecular Formula

  • C26-H42-O3

Molecular Weight

  • 402.6148
 
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Names and Synonyms

Name of Substance

  • 1-Hydroxy-22-oxavitamin D3

Systematic Name

  • 1,3-Cyclohexanediol, 4-methylene-5-(2-(octahydro-7a-methyl-1-(1-(3-methylbutoxy)ethyl)-4H-inden-4-ylidene)ethylidene)-, (1S-(1alpha(R*),3abeta,4E(1S*,3R*,5Z),7aalpha))-

Registry Numbers

CAS Registry Number

  • 111687-67-3

System Generated Number

  • 0111687673

Structure Descriptors

InChI

1S/C26H42O3/c1-17(2)12-14-29-19(4)23-10-11-24-20(7-6-13-26(23,24)5)8-9-21-15-22(27)16-25(28)18(21)3/h8-9,17,19,22-25,27-28H,3,6-7,10-16H2,1-2,4-5H3/b20-8+,21-9-/t19-,22+,23+,24-,25-,26+/m0/s1

InChIKey

OSURJGQBRKBWMU-JRTYMHBXSA-N

Smiles

C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)C