Vitas-M small molecule compound
(5xi,8xi,9xi,10xi,17xi,18xi)-3-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}olean-12-en-28-oic acid
Catalog ID
STL565142
SMILES OC[C@H]1O[C@@H](OC2CCC3(C(C2(C)C)CCC2(C3CC=C3[C@@]2(C)CCC2(C3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)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 C42H68O13 MW 780.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H68O13/c1-37(2)14-16-42(36(50)51)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)33(24(20-44)53-34)55-35-31(48)29(46)28(45)23(19-43)52-35/h8,22-35,43-49H,9-20H2,1-7H3,(H,50,51)/t22?,23-,24-,25?,26InChIKey
WIGHCPZBXOGLKE-ZFNMEDGPSA-NSynonyms
(5xi8xi9xi10xi17xi18xi)3((4O(betaDgalactopyranosyl)betaDglucopyranosyl)oxy)olean12en28oicacid
(6aS)10((2R3R4R5S6R)34dihydroxy6(hydroxymethyl)5((2S3R4S5R6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy226a6b9912aheptamethyl134566a788a1011121314btetradecahydropicene4acarboxylicacid
44657171
InChI=1SC42H68O13c137(2)141642(36(50)51)171540(6)21(22(42)1837)892639(5)121127(38(34)25(39)101341(2640)7)543432(49)30(47)33(24(2044)5334)553531(48)29(46)28(45)23(1943)5235h822354349H920H217H3(H5051)t22?232425?26?27?28+29+3031323334+35+39?4041?42?m1s1
OC(C@H)1O(C@@H)(O(C@@H)2CC(C@)3(C(C2(C)C)CC(C@@)2(C3CC=C3(C@@)2(C)CC(C@@)2((C@H)3CC(C)(C)CC2)C(=O)O)C)C)(C@@H)((C@H)((C@@H)1O(C@@H)1O(C@H)(CO)(C@@H)((C@@H)((C@H)1O)O)O)O)OO
ZINC000252441447
ZINC000252441450
Check stock
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Check stock on Vitas-MAvailable files
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