Chem
J-GLOBAL ID：201007077207767828   Nikkaji number：J2.797.059A

(3S,2′S)-4-Ketomyxol 2′-α-L-fucoside

(3S,2′S)-4-ケトミキソール2′-α-L-フコシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C46H64O8
Molecular formula furigana： C46-H64-O8
Molecular weight： 745.010
InChI： InChI=1S/C46H64O8/c1-30(17-12-13-18-31(2)20-15-23-33(4)25-27-37-35(6)40(48)38(47)29-45(37,8)9)19-14-21-32(3)22-16-24-34(5)26-28-39(46(10,11)52)54-44-43(51)42(50)41(49)36(7)53-44/h12-28,36,38-39,41-44,47,49-52H,29H2,1-11H3/b13-12+,19-14+,20-15+,22-16+,27-25+,28-26?,30-17+,31-18+,32-21+,33-23+,34-24+/t36-,38-,39-,41+,42+,43-,44-/m0/s1
InChI key： GYSHFNPXXPCKGU-MCUXYNGBSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H](C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)/C)/C)/C)C(C)(C)O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • (2′S,3S)-3′,4′-ジデヒドロ-2′-(α-L-フコピラノシルオキシ)-1′,2′-ジヒドロ-1′,3-ジヒドロキシ-4-オキソ-β,ψ-カロテン
  • (6S)-6-ヒドロキシ-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,23S)-24-ヒドロキシ-3,7,12,16,20,24-ヘキサメチル-23-{[(2S,3S,4R,5S,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}ペンタコサ-1,3,5,7,9,11,13,15,17,19,21-ウンデカエン-1-イル]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E,23S)-24-hydroxy-3,7,12,16,20,24-hexamethyl-23-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pentacosa-1,3,5,7,9,11,13,15,17,19,21-undecaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
Other name (3)：
  • (2′S,3S)-3′,4′-Didehydro-2′-(α-L-fucopyranosyloxy)-1′,2′-dihydro-1′,3-dihydroxy-4-oxo-β,ψ-carotene
  • (3S,2′S)-4-Ketomyxol 2′-α-L-fucoside
  • (3S,2′S)-4-ケトミキソール2′-α-L-フコシド
KEGG COMPOUND： C15942
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