Chem
J-GLOBAL ID：200907041471687470   Nikkaji number：J564.263I

Leustroducsin B

ロイストロズクシンB
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： C34H56NO10P
Molecular formula furigana： C34-H56-N-O10-P
Molecular weight： 669.793
InChI： InChI=1S/C34H56NO10P/c1-4-25(3)11-6-9-16-32(37)43-29-15-10-13-26(23-29)12-7-8-14-28(36)24-31(45-46(40,41)42)34(39,21-22-35)20-19-30-27(5-2)17-18-33(38)44-30/h7-8,12,14,17-20,25-31,36,39H,4-6,9-11,13,15-16,21-24,35H2,1-3H3,(H2,40,41,42)/b12-7-,14-8-,20-19+/t25-,26+,27-,28-,29-,30-,31+,34-/m0/s1
InChI key： ZYSAHMPRXHPPAK-QNIAGQLOSA-N
SMILES： CC[C@H](C)CCCCC(=O)O[C@H]1CCC[C@H](C1)/C=C\C=C/[C@H](O)C[C@@H](OP(=O)(O)O)[C@@](O)(CCN)/C=C/[C@@H]1OC(=O)C=C[C@@H]1CC
Systematic name  (3)：
  • (S)-6-メチルオクタン酸(1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-アミノエチル)-10-[[(2S,3S)-3-エチル-3,6-ジヒドロ-6-オキソ-2H-ピラン]-2-イル]-5,8-ジヒドロキシ-7-(ホスホノオキシ)-1,3,9-デカトリエニル]シクロヘキシル
  • {[(1E,3R,4R,6R,7Z,9Z)-3-(2-アミノエチル)-1-[(2S,3S)-3-エチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]-3,6-ジヒドロキシ-10-[(1R,3S)-3-{[(6S)-6-メチルオクタノイル]オキシ}シクロヘキシル]デカ-1,7,9-トリエン-4-イル]オキシ}ホスホン酸
  • {[(1E,3R,4R,6R,7Z,9Z)-3-(2-aminoethyl)-1-[(2S,3S)-3-ethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-3,6-dihydroxy-10-[(1R,3S)-3-{[(6S)-6-methyloctanoyl]oxy}cyclohexyl]deca-1,7,9-trien-4-yl]oxy}phosphonic acid
Other name (3)：
  • ロイストロズクシンB
  • Leustroducsin B
  • (S)-6-Methyloctanoic acid (1S,3R)-3-[(1Z,3Z,5R,7R,8R,9E)-8-(2-aminoethyl)-10-[[(2S,3S)-3-ethyl-3,6-dihydro-6-oxo-2H-pyran]-2-yl]-5,8-dihydroxy-7-(phosphonooxy)-1,3,9-decatrienyl]cyclohexyl ester
CAS registry number： 145142-82-1
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