Vitas-M small molecule compound

(8xi,9xi,14xi,17xi)-20-methyl-20,21-epoxypregnane-3,6-dione

Catalog ID
STL566067
SMILES O=C1CC[C@]2(C(C1)C(=O)CC1C2CC[C@]2(C1CCC2C1(C)CO1)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 C22H32O3 MW 344.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O3/c1-20-8-6-13(23)10-17(20)18(24)11-14-15-4-5-19(22(3)12-25-22)21(15,2)9-7-16(14)20/h14-17,19H,4-12H2,1-3H3/t14?,15?,16?,17?,19?,20-,21+,22?/m1/s1
InChIKey
MXNIOJVTFHRXCI-JEEMEFBZSA-N
Synonyms

(10R13S)1013dimethyl17(2methyloxiran2yl)245789111214151617dodecahydro1Hcyclopenta(a)phenanthrene36dione
(10R13S)1013dimethyl17(2methyloxiran2yl)dodecahydro1Hcyclopenta(a)phenanthrene36(2H10H)dione
(8xi9xi14xi17xi)20methyl2021epoxypregnane36dione
16396015
InChI=1SC22H32O3c1208613(23)1017(20)18(24)1114154519(22(3)122522)21(152)9716(14)20h141719H412H213H3t14?15?16?17?19?2021+22?m1s1
O=C1CC(C@)2(C(C1)C(=O)CC1C2CC(C@)2(C1CCC2C1(C)CO1)C)C
ZINC000012657031
ZINC000253499736

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Available files

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