Tixocortol
CAS Registry Number®
61951-99-3
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CAS Name
TixocortolMolecular Formula
C21H30O4SMolecular Mass
378.53Cite this Page
Tixocortol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=61951-99-3 (retrieved ) (CAS RN: 61951-99-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
254 °C (decomp)
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C21H30O4S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-26)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25-26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey
InChIKey=YWDBSCORAARPPF-VWUMJDOOSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CS)=O)O)[H]
Canonical SMILES
O=C1C=C2CCC3C4CCC(O)(C(=O)CS)C4(C)CC(O)C3C2(C)CC1
Other Names for this Substance
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-mercapto-, (11β)-
- Progesterone, 11β,17-dihydroxy-21-mercapto-
- (11β)-11,17-Dihydroxy-21-mercaptopregn-4-ene-3,20-dione
- Cortisol 21-thiol
- Tixocortol
