Vitas-M small molecule compound
(3aR,4S,4aS,5S,7S,8R,9aS)-5-hydroxy-4a,8-dimethyl-3-methylidene-2-oxododecahydroazuleno[6,5-b]furan-4,7-diyl diacetate
Catalog ID
STL564389
SMILES CC(=O)O[C@H]1[C@H]2[C@H](C[C@H](C3[C@@]1(C)[C@@H](O)C[C@@H]3OC(=O)C)C)OC(=O)C2=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 C19H26O7 MW 366.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H26O7/c1-8-6-12-15(9(2)18(23)26-12)17(25-11(4)21)19(5)14(22)7-13(16(8)19)24-10(3)20/h8,12-17,22H,2,6-7H2,1,3-5H3/t8-,12+,13+,14+,15-,16?,17+,19-/m1/s1InChIKey
JXEGMONJOSAULB-DJKRCAEFSA-NSynonyms
((3aS5R6S8S8aS9S9aR)9acetyloxy8hydroxy58adimethyl1methylidene2oxo455a67899aoctahydro3aHazuleno(65b)furan6yl)acetate
(3aR4S4aS5R7S7aS8R9aS)5hydroxy4a8dimethyl3methylene2oxododecahydroazuleno(65b)furan47diyldiacetate
(3aR4S4aS5S7S8R9aS)5hydroxy4a8dimethyl3methylidene2oxododecahydroazuleno(65b)furan47diyldiacetate
11210784
CC(=O)O(C@H)1(C@H)2(C@H)(C(C@H)((C@H)3(C@@)1(C)(C@H)(O)C(C@@H)3OC(=O)C)C)OC(=O)C2=C
InChI=1SC19H26O7c1861215(9(2)18(23)2612)17(2511(4)21)19(5)14(22)713(16(8)19)2410(3)20h8121722H267H2135H3t812+13+14+1516?17+19m1s1
MFCD32651456
ZINC000005722319
ZINC000005722322
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