Vitas-M small molecule compound
(8xi,9xi,14xi,16alpha)-17-hydroperoxy-16-methyl-20-oxopregn-5-en-3-yl acetate
Catalog ID
STL525045
SMILES OO[C@]1(C(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC=C2[C@]1(C)CCC(C2)OC(=O)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 C24H36O5 MW 404.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36O5/c1-14-12-21-19-7-6-17-13-18(28-16(3)26)8-10-22(17,4)20(19)9-11-23(21,5)24(14,29-27)15(2)25/h6,14,18-21,27H,7-13H2,1-5H3/t14-,18?,19?,20?,21?,22+,23+,24+/m1/s1InChIKey
WCCVKAYHSCWCEN-HPDJWMPQSA-NSynonyms
((10~(R)13~(S)16~(R)17~(R))17acetyl17hydroperoxy101316trimethyl12347891112141516dodecahydrocyclopenta(a)phenanthren3yl)acetate
(3S8R10R13S16R17R)17acetyl17hydroperoxy101316trimethyl2347891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren3ylacetate
(8xi9xi14xi16alpha)17hydroperoxy16methyl20oxopregn5en3ylacetate
135639009
InChI=1SC24H36O5c11412211976171318(2816(3)26)81022(174)20(19)91123(215)24(142927)15(2)25h614182127H713H215H3t1418?19?20?21?22+23+24+m1s1
MFCD01548081
OO(C@)1(C(=O)C)(C@H)(C)CC2(C@)1(C)CCC1(C@H)2CC=C2(C@)1(C)CC(C@@H)(C2)OC(=O)C
ZINC001772491691
ZINC001772491694
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