Chem
J-GLOBAL ID：200907084843784754   Nikkaji number：J2.457.408C

(2S)-2β-[(3R,4R,6R)-3-[2-(Allyloxycarbonylamino)ethyl]-3,4,6-trihydroxy-10-[(1R)-3β-[[(S)-6-methyloctanoyl]oxy]cyclohexane-1β-yl]-1,7,9-decatrienyl]-3β-ethyl-6-oxo-3,6-dihydro-2H-pyran

(2S)-2β-[(3R,4R,6R)-3-[2-(アリルオキシカルボニルアミノ)エチル]-3,4,6-トリヒドロキシ-10-[(1R)-3β-[[(S)-6-メチルオクタノイル]オキシ]シクロヘキサン-1β-イル]-1,7,9-デカトリエニル]-3β-エチル-6-オキソ-3,6-ジヒドロ-2H-ピラン
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： C38H59NO9
Molecular formula furigana： C38-H59-N-O9
Molecular weight： 673.888
InChI： InChI=1S/C38H59NO9/c1-5-25-46-37(44)39-24-23-38(45,22-21-33-30(7-3)19-20-36(43)48-33)34(41)27-31(40)16-10-9-14-29-15-12-17-32(26-29)47-35(42)18-11-8-13-28(4)6-2/h5,9-10,14,16,19-22,28-34,40-41,45H,1,6-8,11-13,15,17-18,23-27H2,2-4H3,(H,39,44)/t28-,29+,30-,31-,32-,33-,34+,38-/m0/s1
InChI key： SUVCYYVRUTUBMV-OMUMUEOHSA-N
SMILES： CC[C@H](C)CCCCC(=O)O[C@H]1CCC[C@H](C1)C=CC=C[C@H](O)C[C@@H](O)[C@@](O)(CCNC(=O)OCC=C)C=C[C@@H]1OC(=O)C=C[C@@H]1CC
Systematic name  (3)：
  • (2S)-2β-[(3R,4R,6R)-3-[2-(アリルオキシカルボニルアミノ)エチル]-3,4,6-トリヒドロキシ-10-[(1R)-3β-[[(S)-6-メチルオクタノイル]オキシ]シクロヘキサン-1β-イル]-1,7,9-デカトリエニル]-3β-エチル-6-オキソ-3,6-ジヒドロ-2H-ピラン
  • (1S,3R)-3-[(5R,7R,8R)-10-[(2S,3S)-3-エチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]-5,7,8-トリヒドロキシ-8-(2-{[(プロパ-2-エン-1-イルオキシ)カルボニル]アミノ}エチル)デカ-1,3,9-トリエン-1-イル]シクロヘキシル (6S)-6-メチルオクタノアート
  • (1S,3R)-3-[(5R,7R,8R)-10-[(2S,3S)-3-ethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-5,7,8-trihydroxy-8-(2-{[(prop-2-en-1-yloxy)carbonyl]amino}ethyl)deca-1,3,9-trien-1-yl]cyclohexyl (6S)-6-methyloctanoate
Other name (1)：
  • (2S)-2β-[(3R,4R,6R)-3-[2-(Allyloxycarbonylamino)ethyl]-3,4,6-trihydroxy-10-[(1R)-3β-[[(S)-6-methyloctanoyl]oxy]cyclohexane-1β-yl]-1,7,9-decatrienyl]-3β-ethyl-6-oxo-3,6-dihydro-2H-pyran
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