Vitas-M small molecule compound
(8xi,10xi,13xi)-3-oxocarda-14,16,20(22)-trienolide
Catalog ID
STL528209
SMILES O=C1CCC2(C(C1)CCC1[C@@H]2CCC2(C1=CC=C2C1=CC(=O)OC1)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 C23H28O3 MW 352.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28O3/c1-22-9-7-16(24)12-15(22)3-4-17-19-6-5-18(14-11-21(25)26-13-14)23(19,2)10-8-20(17)22/h5-6,11,15,17,20H,3-4,7-10,12-13H2,1-2H3/t15?,17?,20-,22?,23?/m0/s1InChIKey
WKSLITSQKVNEJV-YIJNFNOYSA-NSynonyms
(8xi10xi13xi)3oxocarda141620(22)trienolide
135639371
3((9~(S))1013dimethyl3oxo124567891112decahydrocyclopenta(a)phenanthren17yl)2~(H)furan5one
4((5R8R9S10S13S)1013dimethyl3oxo2345678910111213dodecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
InChI=1SC23H28O3c1229716(24)1215(22)3417196518(141121(25)261314)23(192)10820(17)22h5611151720H347101213H212H3t15?17?2022?23?m0s1
MFCD03849902
O=C1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2(C1=CC=C2C1=CC(=O)OC1)C)C
ZINC001772492365
ZINC001772492368
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