25,26-Dihydroxyvitamin D3

CAS Registry Number®

29261-12-9
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CAS Name

25,26-Dihydroxyvitamin D3

Molecular Formula

C27H44O3

Molecular Mass

416.64

Cite this Page

25,26-Dihydroxyvitamin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29261-12-9 (retrieved 2024-05-04) (CAS RN: 29261-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23+,24-,25+,26?,27-/m1/s1

InChIKey

InChIKey=QOWCBCXATJITSI-ZLNGONTQSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)CC[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCCC(CO)(C)O)C)[H])[H]

Canonical SMILES

OCC(O)(C)CCCC(C)C1CCC2C(=CC=C3C(=C)CCC(O)C3)CCCC21C

Other Names for this Substance

  • 1,2-Heptanediol, 2-methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-, (6R)-
  • 9,10-Secocholesta-5,7,10(19)-triene-3β,25,26-triol
  • 9,10-Secocholesta-5,7,10(19)-triene-3,25,26-triol, (3β,5Z,7E)-
  • (6R)-2-Methyl-6-[(1R,3aS,4E,7aR)-octahydro-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-1,2-heptanediol
  • 25,26-Dihydroxycholecalciferol

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