Vitas-M small molecule compound
(5alpha,8xi,9xi,14xi,16alpha)-17-hydroperoxy-16-methyl-20-oxopregnan-3-yl acetate
Catalog ID
STL525156
SMILES OO[C@]1(C(=O)C)[C@H](C)CC2[C@]1(C)CCC1C2CC[C@@H]2[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 C24H38O5 MW 406.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H38O5/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/h14,17-21,27H,6-13H2,1-5H3/t14-,17+,18?,19?,20?,21?,22+,23+,24+/m1/s1InChIKey
SZGJLABGQCABNH-XLFGYDFUSA-NSynonyms
((5~(S)10~(S)13~(S)16~(R)17~(R))17acetyl17hydroperoxy101316trimethyl1234567891112141516tetradecahydrocyclopenta(a)phenanthren3yl)acetate
(3R5S8R9S10S13S14S16R17R)17acetyl17hydroperoxy101316trimethylhexadecahydro1Hcyclopenta(a)phenanthren3ylacetate
(5alpha8xi9xi14xi16alpha)17hydroperoxy16methyl20oxopregnan3ylacetate
135639025
InChI=1SC24H38O5c11412211976171318(2816(3)26)81022(174)20(19)91123(215)24(142927)15(2)25h14172127H613H215H3t1417+18?19?20?21?22+23+24+m1s1
MFCD01547782
OO(C@)1(C(=O)C)(C@H)(C)C(C@@H)2(C@)1(C)CC(C@H)1(C@H)2CC(C@@H)2(C@)1(C)CC(C@H)(C2)OC(=O)C
ZINC001772491668
ZINC001772491671
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