Vitas-M small molecule compound
(4aR)-1-(hexopyranosyloxy)-4a,5-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-7-yl (2E)-3-phenylprop-2-enoate
Catalog ID
STL560630
SMILES OCC1OC(OC2OC=C[C@]3(C2C(C)(OC(=O)/C=C/c2ccccc2)CC3O)O)C(C(C1O)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 C24H30O11 MW 494.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14?,15?,17?,18?,19?,20?,21?,22?,23?,24-/m0/s1InChIKey
KVRQGMOSZKPBNS-ZVGUPPIYSA-NSynonyms
((4aR)4a5dihydroxy7methyl1(345trihydroxy6(hydroxymethyl)oxan2yl)oxy1567atetrahydrocyclopenta(c)pyran7yl)(E)3phenylprop2enoate
(1S4aS5R7S7aS)4a5dihydroxy7methyl1(((2S3S4R5R6S)345trihydroxy6(hydroxymethyl)tetrahydro2Hpyran2yl)oxy)14a5677ahexahydrocyclopenta(c)pyran7ylcinnamate
(4aR)1(hexopyranosyloxy)4a5dihydroxy7methyl14a5677ahexahydrocyclopenta(c)pyran7yl(2E)3phenylprop2enoate
145704778
InChI=1SC24H30O11c123(3516(27)87135324613)1115(26)24(31)9103222(20(23)24)342119(30)18(29)17(28)14(1225)3321h2101415172225262831H1112H21H3b87+t14?15?17?18?19?20?21?22?23?24m0s1
MFCD32649530
OC(C@@H)1O(C@@H)(O(C@@H)2OC=C(C@@)3((C@H)2(C@@)(C)(OC(=O)C=Cc2ccccc2)C(C@H)3O)O)(C@H)((C@@H)((C@H)1O)O)O
ZINC001848442096
ZINC001848442099
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.