Vitas-M small molecule compound
(8xi,11alpha,14xi,17alpha)-3-[(6-deoxyhexopyranosyl)oxy]-5,11,14-trihydroxy-19-oxocard-20(22)-enolide
Catalog ID
STL565706
SMILES O=C[C@@]12CCC(CC2(O)CCC2[C@@H]1[C@H](O)C[C@]1(C2(O)CC[C@H]1C1=CC(=O)OC1)C)OC1OC(C)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 C29H42O11 MW 566.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14?,16?,17-,18?,19+,21+,22?,23?,24?,25?,26+,27-,28?,29?/InChIKey
AZOXLPPOBHVORY-FYUCBOHISA-NSynonyms
(8xi11alpha14xi17alpha)3((6deoxyhexopyranosyl)oxy)51114trihydroxy19oxocard20(22)enolide
(9S10S11R13R17S)51114trihydroxy13methyl17(5oxo25dihydrofuran3yl)3(((2R3R4R5R6R)345trihydroxy6methyltetrahydro2Hpyran2yl)oxy)hexadecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
(9S10S11R13R17S)51114trihydroxy13methyl17(5oxo2Hfuran3yl)3(345trihydroxy6methyloxan2yl)oxy23467891112151617dodecahydro1Hcyclopenta(a)phenanthrene10carbaldehyde
16407490
InChI=1SC29H42O11c11422(33)23(34)24(35)25(3914)40163627(1330)2118(4728(2736)1016)29(37)8517(15920(32)381215)26(292)1119(21)31h9131416192125313337H381012H212H3t14?16?1718?19+21+22?23?24?25?26+2728?29?m0s1
O=C(C@@)12CCC(CC2(O)CCC2(C@@H)1(C@H)(O)C(C@)1(C2(O)CC(C@H)1C1=CC(=O)OC1)C)OC1OC(C)C(C(C1O)O)O
ZINC000253498917
ZINC000253498931
Check stock
See real-time availability and sample size for STL565706 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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