Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-16,17-dihydroxy-20-oxopregnan-3-yl acetate
Catalog ID
STL524713
SMILES CC(=O)OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(=O)C)O)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 C23H36O5 MW 392.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H36O5/c1-13(24)23(27)20(26)12-19-17-6-5-15-11-16(28-14(2)25)7-9-21(15,3)18(17)8-10-22(19,23)4/h15-20,26-27H,5-12H2,1-4H3/t15-,16?,17?,18?,19?,20+,21-,22-,23+/m0/s1InChIKey
RRDIUAREQABZFO-WWUCCBJMSA-NSynonyms
((5~(S)10~(S)13~(S)16~(R)17~(S))17acetyl1617dihydroxy1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3R8R9S10S13S14S16S17S)17acetyl1617dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
(5alpha8xi9xi14xi16alpha)1617dihydroxy20oxopregnan3ylacetate
135638971
CC(=O)O(C@@H)1CC(C@)2(C(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)((C@)2(O)C(=O)C)O)C)C
InChI=1SC23H36O5c113(24)23(27)20(26)12191765151116(2814(2)25)7921(153)18(17)81022(1923)4h15202627H512H214H3t1516?17?18?19?20+212223+m0s1
MFCD01545830
ZINC001772491809
ZINC001772491812
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