Chem
J-GLOBAL ID：200907044393532073   Nikkaji number：J2.643.717B

(2′S)-1′,2′-Dihydro-3′,4′-didehydro-1′-[(6-O-palmitoyl-β-D-glucopyranosyl)oxy]-β,ψ-carotene-2′-ol

(2′S)-1′,2′-ジヒドロ-3′,4′-ジデヒドロ-1′-[(6-O-パルミトイル-β-D-グルコピラノシル)オキシ]-β,ψ-カロテン-2′-オール
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： C62H96O8
Molecular formula furigana： C62-H96-O8
Molecular weight： 969.442
InChI： InChI=1S/C62H96O8/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-40-56(64)68-46-54-57(65)58(66)59(67)60(69-54)70-62(10,11)55(63)44-42-51(6)38-29-36-49(4)35-27-33-47(2)31-25-26-32-48(3)34-28-37-50(5)41-43-53-52(7)39-30-45-61(53,8)9/h25-29,31-38,41-44,54-55,57-60,63,65-67H,12-24,30,39-40,45-46H2,1-11H3/b26-25+,33-27+,34-28+,36-29+,43-41+,44-42?,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,55+,57-,58+,59-,60+/m1/s1
InChI key： PUANLMDRQNCLGC-LBVQWZPASA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H](O)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)CCCC2(C)C)/C)/C)/C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (2′S)-1′,2′-ジヒドロ-3′,4′-ジデヒドロ-1′-[(6-O-パルミトイル-β-D-グルコピラノシル)オキシ]-β,ψ-カロテン-2′-オール
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[(3S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-ヒドロキシ-2,6,10,14,19,23-ヘキサメチル-25-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)ペンタコサ-4,6,8,10,12,14,16,18,20,22,24-ウンデカエン-2-イル]オキシ}オキサン-2-イル]メチル ヘキサデカノアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(3S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl]methyl hexadecanoate
Other name (1)：
  • (2′S)-1′,2′-Dihydro-3′,4′-didehydro-1′-[(6-O-palmitoyl-β-D-glucopyranosyl)oxy]-β,ψ-carotene-2′-ol
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