(6α,11β)-11,17-Dihydroxy-6-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dione
CAS Registry Number®
22252-38-6
CAS Name
(6α,11β)-11,17-Dihydroxy-6-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dioneMolecular Formula
C22H31O8PMolecular Mass
454.45Cite this Page
(6α,11β)-11,17-Dihydroxy-6-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=22252-38-6 (retrieved ) (CAS RN: 22252-38-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
InChIKey
InChIKey=PWTIEVRZANUUHG-PJHHCJLFSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C([C@@H](C)C3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(COP(=O)(O)O)=O)O)[H]
Canonical SMILES
O=C1C=CC2(C(=C1)C(C)CC3C4CCC(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C32)C
Other Names for this Substance
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-6-methyl-21-(phosphonooxy)-, (6α,11β)-
- Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-6α-methyl-, 21-(dihydrogen phosphate)
- (6α,11β)-11,17-Dihydroxy-6-methyl-21-(phosphonooxy)pregna-1,4-diene-3,20-dione
- Methylprednisolone 21-phosphate
- Methylprednisolone dihydrogen phosphate
