Chem
J-GLOBAL ID：201807015430902951   Nikkaji number：J3.725.044I

Murasakimasarin III

ムラサキマサリンIII
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： C63H110O26
Molecular formula furigana： C63-H110-O26
Molecular weight： 1283.547
InChI： InChI=1S/C63H110O26/c1-9-11-21-27-38-28-23-18-13-12-14-19-25-30-42(67)84-55-50(75)52(36(7)78-61(55)88-54-46(71)44(69)40(32-65)82-62(54)80-38)86-63-57(85-58(76)34(5)10-2)56(89-60-48(73)45(70)43(68)39(31-64)81-60)53(37(8)79-63)87-59-49(74)47(72)51(35(6)77-59)83-41(66)29-24-20-16-15-17-22-26-33(3)4/h33-40,43-57,59-65,68-75H,9-32H2,1-8H3/t34-,35-,36-,37-,38?,39+,40+,43+,44-,45-,46-,47-,48+,49+,50+,51-,52-,53-,54+,55+,56+,57+,59-,60-,61-,62+,63-/m0/s1
InChI key： RLVLINIVFQELJU-FRYIZWBSSA-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](OC(=O)CCCCCCCCC(C)C)[C@@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3OC(=O)[C@@H](C)CC)[C@H](C)O[C@H]2O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O1
Systematic name  (3)：
  • 1-O,2-O-[(1,2-ジデオキシ-β-D-ガラクトピラノース-2,1-ジイル)オキシ[(1S)-1-ペンチル-11-オキソウンデカン-1,11-ジイル]]-4-O-[2-O-[(2S)-2-メチルブタノイル]-3-O-β-D-グルコピラノシル-4-O-[4-O-(10-メチルウンデカノイル)-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,4S,5R,6S)-4,5-ジヒドロキシ-2-メチル-6-{[(2S,3S,4R,5R,6S)-2-メチル-5-{[(2S)-2-メチルブタノイル]オキシ}-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-トリヒドロキシ-24-(ヒドロキシメチル)-5-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[20.4.0.03,8]ヘキサコサン-6-イル]オキシ}-4-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-3-イル]オキシ}オキサン-3-イル 10-メチルウンデカノアート
  • (2S,3R,4S,5R,6S)-4,5-dihydroxy-2-methyl-6-{[(2S,3S,4R,5R,6S)-2-methyl-5-{[(2S)-2-methylbutanoyl]oxy}-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}oxan-3-yl 10-methylundecanoate
Other name (3)：
  • 1-O,2-O-[(1,2-Dideoxy-β-D-galactopyranose-2,1-diyl)oxy[(1S)-1-pentyl-11-oxoundecane-1,11-diyl]]-4-O-[2-O-[(2S)-2-methylbutanoyl]-3-O-β-D-glucopyranosyl-4-O-[4-O-(10-methylundecanoyl)-α-L-rhamnopyranosyl]-α-L-rhamnopyranosyl]-α-L-rhamnopyranose
  • ムラサキマサリンIII
  • Murasakimasarin III
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