Alpha Hederin

Product Name Alpha Hederin
Alternate Names Hederin Metabolites, Metabolites of Hederin
CAT No. CS-O-10015
CAS No. 27013-91-8
Category Metabolites
Stock IN-Stock
Mol. Wt. 750.96 g/mol
Mol. For. C₄₁H₆₆O₁₂
Hazardous This is a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Hederin
Purity >98%
Smileys C[C@]([C@@]1([H])[C@]2(CC[C@@H]3O[C@@](OC[C@H](O)[C@@H]4O)([H])[C@@H]4O[C@@](O[C@@H](C)[C@H](O)[C@H]5O)([H])[C@@H]5O)C)(CC[C@@]2([H])[C@]3(C)CO)[C@@](C6=CC1)(CC[C@]7(C(O)=O)[C@@]6([H])CC(C)(C)CC7)C
Canonical Smiles CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O
InchIKey KEOITPILCOILGM-LLJOFIFVSA-N
Inchl InChI=1S/C41H66O12/c1-21-28(44)30(46)31(47)33(51-21)53-32-29(45)24(43)19-50-34(32)52-27-11-12-37(4)25(38(27,5)20-42)10-13-40(7)26(37)9-8-22-23-18-36(2,3)14-16-41(23,35(48)49)17-15-39(22,40)6/h8,21,23-34,42-47H,9-20H2,1-7H3,(H,48,49)/t21-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34-,37-,38-,39+,40+,41-/m0/s1
IUPAC (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Controlled No
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