Vitas-M small molecule compound
7,9b-dihydroxy-3a,6,7-trimethyl-3-(5-oxo-2,5-dihydrofuran-3-yl)dodecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Catalog ID
STK998653
SMILES O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC(C1(C)C(=O)[O-])(C)O)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 C21H29O6 MW 377.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30O6/c1-18-7-4-14-15(5-8-19(2,25)20(14,3)17(23)24)21(18,26)9-6-13(18)12-10-16(22)27-11-12/h10,13-15,25-26H,4-9,11H2,1-3H3,(H,23,24)/p-1InChIKey
VTONPYRCZZPHMA-UHFFFAOYSA-MSynonyms
79bdihydroxy3a67trimethyl3(5oxo25dihydrofuran3yl)dodecahydro1Hcyclopenta(a)naphthalene6carboxylate
79bdihydroxy3a67trimethyl3(5oxo2Hfuran3yl)23455a899aoctahydro1Hcyclopenta(a)naphthalene6carboxylate
CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC(C3(C)C(=O)(O))(C)O
InChI=1SC21H30O6c118741415(5819(225)20(143)17(23)24)21(1826)9613(18)121016(22)271112h1013152526H4911H213H3(H2324)p1
O=C1OCC(=C1)C1CCC2(C1(C)CCC1C2CCC(C1(C)C(=O)(O))(C)O)O
ZINC000245247552
ZINC000245247555
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