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Methylprednisolone 21-Propionate

ISO 17034:
Catalog Number : CS-T-58642
CAS Number : 138804-88-3
Status : Available
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Chemical Information

Chemical Name : Methylprednisolone 21-Propionate
Category : Intermediates

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Additional Information

Canonical SMILES : CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)O
Isomeric SMILES : CCC(=O)OCC(=O)[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)O
InChI : InChI=1S/C25H34O6/c1-5-21(29)31-13-20(28)25(30)9-7-17-16-10-14(2)18-11-15(26)6-8-23(18,3)22(16)19(27)12-24(17,25)4/h6,8,11,14,16-17,19,22,27,30H,5,7,9-10,12-13H2,1-4H3/t14-,16-,17-,19-,22+,23-,24-,25+/m0/s1
InchIKey : KNKJEUNXMFFFDU-CSFWGIMZSA-N
IUPAC Name : [2-[(6S,8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Exact Mass : 430.23553880

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