Vitas-M small molecule compound
(5xi,6alpha,8xi,9beta,16beta,17xi,24S)-16,25-dihydroxy-3-(beta-D-xylopyranosyloxy)-20,24-epoxy-9,19-cyclolanostan-6-yl 6-deoxy-alpha-D-mannopyranoside
Catalog ID
STL564473
SMILES C[C@H]1O[C@H](O[C@H]2CC3[C@]4([C@@]5(C2C(C)(C)C(CC5)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)C4)CC[C@]2([C@@]3(C)C[C@@H](C2[C@@]2(C)CC[C@H](O2)C(O)(C)C)O)C)[C@H]([C@H]([C@@H]1O)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 C41H68O13 MW 768.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H68O13/c1-19-26(44)28(46)30(48)34(51-19)52-22-15-23-38(7)16-20(42)31(39(8)11-9-25(54-39)36(4,5)49)37(38,6)13-14-40(23)18-41(40)12-10-24(35(2,3)32(22)41)53-33-29(47)27(45)21(43)17-50-33/h19-34,42-49H,9-18H2,1-8H3/t19-,20+,21-,22+,23?,24?,25+,26InChIKey
UPADPCUOTDTWHH-DKNQSDBISA-NSynonyms
135101-62-1(2S3S4S5S6R)2(((1S3R9S12S14S16R)14hydroxy15((2R5S)5(2hydroxypropan2yl)2methyloxolan2yl)771216tetramethyl6((2S3R4S5R)345trihydroxyoxan2yl)oxy9pentacyclo(97001303801216)octadecanyl)oxy)6methyloxane345triol
(5xi6alpha8xi9beta16beta17xi24S)1625dihydroxy3(betaDxylopyranosyloxy)2024epoxy919cyclolanostan6yl6deoxyalphaDmannopyranoside
135101621
139292093
C(C@@H)1O(C@H)(O(C@H)2C(C@@H)3(C@)4((C@@)5(C2C(C)(C)(C@H)(CC5)O(C@@H)2OC(C@H)((C@@H)((C@H)2O)O)O)C4)CC(C@)2((C@@)3(C)C(C@@H)((C@@H)2(C@@)2(C)CC(C@H)(O2)C(O)(C)C)O)C)(C@H)((C@@H)((C@H)1O)O)O
InChI=1SC41H68O13c11926(44)28(46)30(48)34(5119)5222152338(7)1620(42)31(39(8)11925(5439)36(45)49)37(386)131440(23)1841(40)121024(35(23)32(22)41)533329(47)27(45)21(43)175033h19344249H918H218H3t1920+2122+23?24?25+2627+28+2930+31?32?33+343738+3940+41m1s1
ZINC000605851154
ZINC000605851157
Check stock
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Check stock on Vitas-MAvailable files
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