GHS
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Acanjaposide A
CAS Number: 346722-06-3
IUPAC name: (3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxycarbonyl-3-hydroxy-4,6a,6b,14b-tetramethyl-11-methylidene-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
Molecular formula: C47H72O19
Molecular weight: 941.1
InChI: InChI=1S/C47H72O19/c1-20-9-14-47(16-15-44(4)22(23(47)17-20)7-8-26-43(3)12-11-28(49)46(6,41(58)59)27(43)10-13-45(26,44)5)42(60)66-40-35(56)32(53)30(51)25(64-40)19-61-38-36(57)33(54)37(24(18-48)63-38)65-39-34(55)31(52)29(50)21(2)62-39/h7,21,23-40,48-57H,1,8-19H2,2-6H3,(H,58,59)/t21-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,43+,44+,45+,46-,47-/m0/s1
InChIKey: UCQFMBXHEZNBGP-DYMVLVEASA-N
SMILES: -
EINECS: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@]45CCC(=C)C[C@H]4C6=CC[C@@H]7[C@]8(CC[C@@H]([C@@]([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C(=O)O)O)C)O)O)O)CO)O)O)O
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