Vitas-M small molecule compound
(8xi,9xi,14xi,17alpha)-3,5,14-trihydroxy-19-methoxy-19-oxocard-20(22)-enolide
Catalog ID
STL564588
SMILES COC(=O)[C@@]12CCC(CC2(O)CCC2C1CC[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)O
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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 C24H34O7 MW 434.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34O7/c1-21-7-4-17-18(24(21,29)10-6-16(21)14-11-19(26)31-13-14)5-8-22(28)12-15(25)3-9-23(17,22)20(27)30-2/h11,15-18,25,28-29H,3-10,12-13H2,1-2H3/t15?,16-,17?,18?,21+,22?,23+,24?/m0/s1InChIKey
QQDSUUXGHQRMET-XQIKZRPWSA-NSynonyms
(3S5S8R9S10S13R14S17R)methyl3514trihydroxy13methyl17(5oxo25dihydrofuran3yl)hexadecahydro1Hcyclopenta(a)phenanthrene10carboxylate
(8xi9xi14xi17alpha)3514trihydroxy19methoxy19oxocard20(22)enolide
145705519
COC(=O)(C@@)12CC(C@@H)(C(C@@)2(O)CC(C@@H)2(C@@H)1CC(C@)1((C@)2(O)CC(C@@H)1C1=CC(=O)OC1)C)O
InChI=1SC24H34O7c121741718(24(2129)10616(21)141119(26)311314)5822(28)1215(25)3923(1722)20(27)302h111518252829H3101213H212H3t15?1617?18?21+22?23+24?m0s1
methyl(10S13R17S)3514trihydroxy13methyl17(5oxo2Hfuran3yl)23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carboxylate
ZINC001848443692
ZINC001848443695
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