Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-3-hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one
Catalog ID
STL524959
SMILES OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3C[C@@]3([C@]2(O3)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 C22H32O3 MW 344.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h5,15-18,24H,6-12H2,1-4H3/t15?,16?,17?,18?,19-,20-,21+,22-/m0/s1InChIKey
LMVLICSGVDWDSM-YIQGKHCRSA-NSynonyms
(8xi9xi14xi16alpha)3hydroxy16methyl1617epoxypregn5en20one
1((4~(R)6~(S)7~(S)11~(R))14hydroxy4711trimethyl5oxapentacyclo(8800^(27)0^(46)0^(1116))octadec16en6yl)ethanone
1((6aR8aS8bS9aR)4hydroxy6a8a9atrimethyl34566a6b788a8b9a1010a10btetradecahydro1Hnaphtho(2145)indeno(12b)oxiren8byl)ethanone
16395584
InChI=1SC22H32O3c113(23)2220(3)1081716(18(20)1221(224)2522)65141115(24)7919(1417)2h5151824H612H214H3t15?16?17?18?192021+22m0s1
MFCD01545583
OC1CC(C@)2(C(=CCC3C2CC(C@)2(C3C(C@@)3((C@)2(O3)C(=O)C)C)C)C1)C
ZINC000012655343
ZINC000253499628
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