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1-O-[(5xi,8alpha,9xi,10alpha)-12-{[2-O-(beta-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-L-glucopyranose

Catalog ID
STL565023
SMILES OC[C@H]1O[C@H](OC2CC3[C@]4(C[C@H]2C(=C)C4)CCC2[C@@]3(C)CCC[C@@]2(C)C(=O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2O)O)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[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 C38H60O18 MW 804.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H60O18/c1-15-10-38-8-5-21-36(2,6-4-7-37(21,3)35(50)56-33-30(49)27(46)24(43)19(13-40)53-33)22(38)9-17(16(15)11-38)51-34-31(28(47)25(44)20(14-41)54-34)55-32-29(48)26(45)23(42)18(12-39)52-32/h16-34,39-49H,1,4-14H2,2-3H3/t16-,17?,18+,19-,20+,21?,2
InChIKey
OKYNXBUWLXCLQG-YUBPLAHOSA-N
Synonyms

((2R3S4R5R6S)345trihydroxy6(hydroxymethyl)oxan2yl)(1S5R9S13S)12((2S3R4S5S6R)45dihydroxy6(hydroxymethyl)3((2S3R4S5S6R)345trihydroxy6(hydroxymethyl)oxan2yl)oxyoxan2yl)oxy59dimethyl14methylidenetetracyclo(11210110049)hexadecane5carboxylate
16395366
1O((5xi8alpha9xi10alpha)12((2O(betaDglucopyranosyl)alphaDglucopyranosyl)oxy)18oxokaur16en18yl)betaLglucopyranose
InChI=1SC38H60O18c1151038852136(264737(213)35(50)563330(49)27(46)24(43)19(1340)5333)22(38)917(16(15)1138)513431(28(47)25(44)20(1441)5434)553229(48)26(45)23(42)18(1239)5232h16343949H1414H223H3t1617?18+1920+21?22?23+2425+2627+2829+3031+3233+3436+37+38+
MFCD01544722
OC(C@H)1O(C@H)(OC2CC3(C@)4(C(C@H)2C(=C)C4)CCC2(C@@)3(C)CCC(C@@)2(C)C(=O)O(C@H)2O(C@@H)(CO)(C@@H)((C@H)((C@@H)2O)O)O)(C@@H)((C@H)((C@@H)1O)O)O(C@@H)1O(C@H)(CO)(C@H)((C@@H)((C@H)1O)O)O
ZINC000253387785
ZINC000253387788

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Available files

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