Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-3,17-dihydroxy-16-methylpregnan-20-one
Catalog ID
STL524486
SMILES OC1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@H]([C@]2(O)C(=O)C)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 C22H36O3 MW 348.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15+,16?,17?,18?,19?,20+,21+,22+/m1/s1InChIKey
RGHGKGRVFXQGOV-MRGANUGXSA-NSynonyms
(5alpha8xi9xi14xi16alpha)317dihydroxy16methylpregnan20one
1((3R5S8R9S10S13S14S16S17R)317dihydroxy101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)ethanone
1((5~(S)10~(S)13~(S)16~(R)17~(R))317dihydroxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren17yl)ethanone
52950680
InChI=1SC22H36O3c11311191765151216(24)7920(153)18(17)81021(194)22(1325)14(2)23h1315192425H512H214H3t1315+16?17?18?19?20+21+22+m1s1
MFCD01544730
O(C@@H)1CC(C@)2((C@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)((C@)2(O)C(=O)C)C)C)C
ZINC000005211505
ZINC001772491800
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