Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate
Catalog ID
STL525206
SMILES CC(=O)OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@H]([C@]2(O)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 C24H36O4 MW 388.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O4/c1-14-12-21-19-7-6-17-13-18(28-16(3)26)8-10-22(17,4)20(19)9-11-23(21,5)24(14,27)15(2)25/h6,14,18-21,27H,7-13H2,1-5H3/t14-,18?,19?,20?,21?,22+,23+,24+/m1/s1InChIKey
PBWPIBBLWBUSGM-HPDJWMPQSA-NSynonyms
((10~(R)13~(S)16~(R)17~(R))17acetyl17hydroxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)acetate
(3R8R10R13S16R17R)17acetyl17hydroxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi16alpha)17hydroxy16methyl20oxopregn5en3ylacetate
135639031
CC(=O)O(C@@H)1CC(C@)2(C(=CC(C@@H)3C2CC(C@)2(C3C(C@H)((C@)2(O)C(=O)C)C)C)C1)C
InChI=1SC24H36O4c11412211976171318(2816(3)26)81022(174)20(19)91123(215)24(1427)15(2)25h614182127H713H215H3t1418?19?20?21?22+23+24+m1s1
MFCD01543892
ZINC000004731296
ZINC001772491640
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