CAS Registry Number®
32222-06-3
CAS Name
Calcitriol
Molecular Formula
C27H44O3
Molecular Mass
416.64
Compound Properties
-
Melting Point (1)
113 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
InChIKey
InChIKey=GMRQFYUYWCNGIN-NKMMMXOESA-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](CCCC(C)(C)O)C)[H])[H]
Canonical SMILES
OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C)CCCC(O)(C)C)CC(O)C1
Other Names for this Substance
- 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
- 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, (1α,3β,5Z,7E)-
- (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1,5-dimethylhexyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
- 1,25-Dihydroxycholecalciferol
- 1α,25-Dihydroxycholecalciferol
- 1α,25-Dihydroxyvitamin D3
- 1,25-Dihydroxyvitamin D3
- Calcitriol
- 1,25-Dihydroxyvitamin D
- Ro 21-5535
- Soltriol
- Calcijex
- Rocaltrol
- 1α,25-(OH)2D3
- Topitriol
- Silkis
- Toptriol
- Dihydroxyvitamin D3
- (3β,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trienetriol
- Panbonis
- Solbone P
- DN 101
- 1α,25-Hydroxyl-vitamin D3
- 1a,25-Dihydroxyvitamin D3
- 1α,25(OH)2 vitamin D3
Deleted or Replaced CAS Registry Numbers
125338-24-1, 69878-52-0, 1000873-74-4
