Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-3-hydroxy-16,17-dimethylpregn-5-en-20-one
Catalog ID
STL524656
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(C)C(=O)C)C)C)C1)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 C23H36O2 MW 344.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h6,14,17-20,25H,7-13H2,1-5H3/t14-,17?,18?,19?,20?,21+,22+,23-/m1/s1InChIKey
ZSLFGNQZRMYDJQ-UCWGIUAGSA-NSynonyms
(8xi9xi14xi16alpha)3hydroxy1617dimethylpregn5en20one
1((10~(R)13~(S)16~(R)17~(S))3hydroxy10131617tetramethyl12347891112141516dodecahydrocyclopenta(a)phenanthren17yl)ethanone
1((8R10R13S16R17S)3hydroxy10131617tetramethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
135638964
InChI=1SC23H36O2c11412201876161317(25)81021(163)19(18)91122(204)23(145)15(2)24h614172025H713H215H3t1417?18?19?20?21+22+23m1s1
MFCD01083656
OC1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@H)((C@)2(C)C(=O)C)C)C)C1)C
ZINC000003882018
ZINC000253500218
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