Vitas-M small molecule compound

(3alpha,5alpha,8xi,9xi,14xi)-16-chloro-3,17-dihydroxypregnan-20-one

Catalog ID
STL548776
SMILES O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1CC([C@]2(O)C(=O)C)Cl)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 C21H33ClO3 MW 368.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H33ClO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h13-18,24-25H,4-11H2,1-3H3/t13-,14+,15?,16?,17?,18?,19-,20-,21+/m0/s1
InChIKey
FCNFDODVDQKBAV-TUYWIMDMSA-N
Synonyms

(3alpha5alpha8xi9xi14xi)16chloro317dihydroxypregnan20one
1((3~(R)5~(S)10~(S)13~(S)17~(R))16chloro317dihydroxy1013dimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)ethanone
1((3R5S8R9S10S13S14S17R)16chloro317dihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
135639796
InChI=1SC21H33ClO3c112(23)21(25)18(22)11171554131014(24)6819(132)16(15)7920(1721)3h13182425H411H213H3t1314+15?16?17?18?192021+m0s1
MFCD01545979
O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC((C@)2(O)C(=O)C)Cl)C)C
ZINC000005383456
ZINC001772492809

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Available files

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