Batatoside IV

バタトシドIV

Decided structure
Molecular formula： C₅₁H₈₈O₂₃
Molecular formula furigana： C51-H88-O23
Molecular weight： 1069.242

InChI： InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3/t23?,24-,25-,26+,27-,28-,29?,31-,32-,33-,34+,35+,36-,37+,38+,39+,40-,41-,42+,43+,44+,45+,47-,48-,49-,50-,51-/m0/s1

InChI key： JFUPYRTZBHJNLX-GNPOMQOKSA-N

SMILES： CCCCCC1CCCCCCCCCC(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3OC(=O)C(C)CC)[C@H](C)O[C@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]2O1

Systematic name (3)：

1-O,2-O-[(2,6-ジデオキシ-β-D-ガラクトピラノース-2,1-O-ジイル)[(S)-16-オキソヘキサデカン-6,16-ジイル]]-4-O-[2-O-(2-メチルブタノイル)-3-O,4-O-ビス(α-L-ラムノピラノシル)-α-L-ラムノピラノシル]-α-L-ラムノピラノース
(2S,3R,4R,5S,6S)-6-メチル-2-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-トリヒドロキシ-5,24-ジメチル-10-オキソ-20-ペンチル-2,4,9,21,23-ペンタオキサトリシクロ[20.4.0.0^3,8]ヘキサコサン-6-イル]オキシ}-4,5-ビス({[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ})オキサン-3-イル 2-メチルブタノアート
(2S,3R,4R,5S,6S)-6-methyl-2-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^3,8]hexacosan-6-yl]oxy}-4,5-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})oxan-3-yl 2-methylbutanoate

Other name (3)：

1-O,2-O-[(2,6-Dideoxy-β-D-galactopyranose-2,1-O-diyl)[(S)-16-oxohexadecane-6,16-diyl]]-4-O-[2-O-(2-methylbutanoyl)-3-O,4-O-bis(α-L-rhamnopyranosyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranose
バタトシドIV
Batatoside IV

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