Vitas-M small molecule compound
1-O-[(5xi,9xi,13xi,17xi,18xi)-3-{[2-O-(6-deoxy-L-mannopyranosyl)-alpha-L-arabinopyranosyl]oxy}-23-hydroxy-28-oxooleanan-28-yl]-6-O-beta-L-threo-hexofuranosyl-beta-L-threo-hexofuranose
Catalog ID
STL566308
SMILES OCC(C1O[C@@H]([C@@H]([C@H]1O)O)OCC(C1O[C@@H]([C@@H]([C@H]1O)O)OC(=O)C12CC[C@@]3(C(C2CC(CC1)(C)C)CCC1[C@@]3(C)CCC2[C@]1(C)CCC(C2(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1OC1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)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 C53H88O22 MW 1077.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C53H88O22/c1-23-32(59)34(61)37(64)44(70-23)74-42-33(60)27(57)20-69-46(42)71-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-39(66)36(63)41(73-45)28(58)21-68-43-38(65)35(62)40(72-43)26(5InChIKey
NMDIDTFHYYECLN-YGMUMSITSA-NSynonyms
((2R3R4R)5(2((2S3R4R)5(12dihydroxyethyl)34dihydroxyoxolan2yl)oxy1hydroxyethyl)34dihydroxyoxolan2yl)(6aR6bR12aR)10((2S3R4S5S)45dihydroxy3((3R4R5R6S)345trihydroxy6methyloxan2yl)oxyoxan2yl)oxy9(hydroxymethyl)226a6b912ahexamethyl134566a788a101112131414a1
1O((5xi9xi13xi17xi18xi)3((2O(6deoxyLmannopyranosyl)alphaLarabinopyranosyl)oxy)23hydroxy28oxooleanan28yl)6ObetaLthreohexofuranosylbetaLthreohexofuranose
44662791
InChI=1SC53H88O22c12332(59)34(61)37(64)44(7023)744233(60)27(57)206946(42)7131111249(4)29(50(315)2255)101352(7)30(49)9824251848(23)141653(25171551(2452)6)47(67)754539(66)36(63)41(7345)28(58)21684338(65)35(62)40(7243)26(56)1954h23465466H822H217H3t2324?
Check stock
See real-time availability and sample size for STL566308 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.