CAS Registry Number®
54573-75-0
CAS Name
Doxercalciferol
Molecular Formula
C28H44O2
Molecular Mass
412.65
Other Names and Identifiers
InChI
InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChIKey
InChIKey=HKXBNHCUPKIYDM-CGMHZMFXSA-N
SMILES
C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]
Canonical SMILES
OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C=CC(C)C(C)C)C)CC(O)C1
Other Names for this Substance
- 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
- 9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1α,3β,5Z,7E,22E,24R)-
- (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
- 1α-Hydroxyvitamin D2
- 1α-Hydroxyergocalciferol
- 1-Hydroxyergocalciferol
- 1-Hydroxyvitamin D2
- TSA 840
- Doxercalciferol
- Hectorol
Deleted or Replaced CAS Registry Numbers
125285-48-5, 87649-67-0
