Vitas-M small molecule compound
3,14,16-trihydroxycard-20(22)-enolide
Catalog ID
STL560747
SMILES OC1CCC2(C(C1)CCC1C2CCC2(C1(O)CC(C2C1=CC(=O)OC1)O)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 C23H34O5 MW 390.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3InChIKey
PVAMXWLZJKTXFW-UHFFFAOYSA-NSynonyms
545-26-616BETAHYDROXYDIGITOXIGENIN
16BETAHYDROXYDISITOXIGENIN
3(31416trihydroxy1013dimethyl1234567891112151617tetradecahydrocyclopenta(a)phenanthren17yl)2Hfuran5one
31416trihydroxycard20(22)enolide
4((3S5R8R9S10S13R14S16S17R)31416trihydroxy1013dimethylhexadecahydro1Hcyclopenta(a)phenanthren17yl)furan2(5H)one
545266
608933
BIGITALIGENIN
InChI=1SC23H34O5c1217515(24)1014(21)341716(21)6822(2)20(13919(26)281213)18(25)1123(1722)27h9141820242527H381012H212H3
MFCD00066714
O(C@H)1CC(C@)2((C@@H)(C1)CC(C@@H)1(C@@H)2CC(C@)2((C@)1(O)C(C@@H)((C@@H)2C1=CC(=O)OC1)O)C)C
ZINC000003954643
ZINC000253498962
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