Vitas-M small molecule compound
(4S,9aS)-5,8-dihydroxy-5,8a-dimethyl-3-methylidene-2-oxododecahydronaphtho[2,3-b]furan-4-yl (2E)-2-methylbut-2-enoate
Catalog ID
STL564368
SMILES C/C=C(/C(=O)O[C@H]1C2[C@@H](OC(=O)C2=C)CC2(C1C(C)(O)CCC2O)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 C20H28O6 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28O6/c1-6-10(2)17(22)26-15-14-11(3)18(23)25-12(14)9-19(4)13(21)7-8-20(5,24)16(15)19/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6+/t12-,13?,14?,15-,16?,19?,20?/m0/s1InChIKey
RDPOODRUMBKGIJ-ROXILYRDSA-NSynonyms
((4S9aS)58dihydroxy58adimethyl3methylidene2oxo3a44a67899aoctahydrobenzo(f)(1)benzofuran4yl)(E)2methylbut2enoate
(4S9aS)58dihydroxy58adimethyl3methylidene2oxododecahydronaphtho(23b)furan4yl(2E)2methylbut2enoate
(E)(3aR4S5R8R8aR9aS)58dihydroxy58adimethyl3methylene2oxododecahydronaphtho(23b)furan4yl2methylbut2enoate
139292046
146TRIHYDROXY11(13)EUDESMEN128OLIDE6TIGLOYL
CC=C(C(=O)O(C@H)1(C@H)2(C@@H)(OC(=O)C2=C)C(C@@)2(C1(C@)(C)(O)CC(C@H)2O)C)C
InChI=1SC20H28O6c1610(2)17(22)26151411(3)18(23)2512(14)919(4)13(21)7820(524)16(15)19h612162124H379H21245H3b106+t1213?14?1516?19?20?m0s1
MFCD32651448
ZINC001848443700
ZINC001848443703
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