Bionectriol C

ビオネクトリオールC

Decided structure
Molecular formula： C₄₆H₈₂O₁₇
Molecular formula furigana： C46-H82-O17
Molecular weight： 907.145

InChI： InChI=1S/C46H82O17/c1-13-22(2)14-23(3)15-29(9)44(63-46-43(58)42(57)41(56)35(62-46)21-60-32(12)48)30(10)18-27(7)37(52)25(5)16-24(4)36(51)26(6)17-28(8)38(53)31(11)45(59)61-20-34(50)40(55)39(54)33(49)19-47/h16-18,22-23,25-26,29-31,33-44,46-47,49-58H,13-15,19-21H2,1-12H3/b24-16+,27-18+,28-17+/t22-,23-,25-,26-,29-,30-,31+,33+,34+,35+,36+,37-,38+,39+,40+,41+,42-,43-,44+,46-/m0/s1

InChI key： YUDXYSNVXULMCC-POPUYQJTSA-N

SMILES： CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

Systematic name (3)：

(2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-2,4,6,8,10,12,14,16,18,20-デカメチル-3,7,11-トリヒドロキシ-15-[(6-O-アセチル-β-D-マンノピラノシル)オキシ]-4,8,12-ドコサトリエン酸(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル
(2R,3R,4R,5R)-2,3,4,5,6-ペンタヒドロキシヘキシル (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-15-{[(2R,3S,4S,5S,6R)-6-[(アセチルオキシ)メチル]-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3,7,11-トリヒドロキシ-2,4,6,8,10,12,14,16,18,20-デカメチルドコサ-4,8,12-トリエノアート
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-15-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyldocosa-4,8,12-trienoate

Other name (3)：

(2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-2,4,6,8,10,12,14,16,18,20-Decamethyl-3,7,11-trihydroxy-15-[(6-O-acetyl-β-D-mannopyranosyl)oxy]-4,8,12-docosatrienoic acid (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl ester
ビオネクトリオールC
Bionectriol C

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