Vitas-M small molecule compound
(3alpha,5beta,8xi,9xi,14xi)-3,17-dihydroxypregnane-11,20-dione
Catalog ID
STL524929
SMILES O[C@@H]1CC[C@]2([C@@H](C1)CCC1C2C(=O)C[C@]2(C1CC[C@]2(O)C(=O)C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H32O4 MW 348.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-16,18,23,25H,4-11H2,1-3H3/t13-,14-,15?,16?,18?,19+,20+,21+/m1/s1InChIKey
AYEXSTRNLGYBSQ-AGMDTJINSA-NSynonyms
(3~(R)5~(R)10~(S)13~(S)17~(R))17acetyl317dihydroxy1013dimethyl2345678912141516dodecahydro1~(H)cyclopenta(a)phenanthren11one
(3alpha5beta8xi9xi14xi)317dihydroxypregnane1120dione
(3R5R8S9S10S13S14S17R)17acetyl317dihydroxy1013dimethyltetradecahydro1Hcyclopenta(a)phenanthren11(2H)one
135638994
InChI=1SC21H32O4c112(22)21(25)97161554131014(23)6819(132)18(15)17(24)1120(1621)3h1316182325H411H213H3t131415?16?18?19+20+21+m1s1
MFCD01543434
O(C@@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2C(=O)C(C@)2((C@H)1CC(C@)2(O)C(=O)C)C)C
ZINC000005383434
ZINC000605679628
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