Chem
J-GLOBAL ID：201107064492911700   Nikkaji number：J2.963.916G

(17S,20S,22R)-5,6β-Epoxy-4β,14β,17,20,22-pentahydroxy-3β-methoxy-1-oxo-5β-ergosta-24-ene-26-oic acid δ-lactone

(17S,20S,22R)-5,6β-エポキシ-4β,14β,17,20,22-ペンタヒドロキシ-3β-メトキシ-1-オキソ-5β-エルゴスタ-24-エン-26-酸δ-ラクトン
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： C29H42O9
Molecular formula furigana： C29-H42-O9
Molecular weight： 534.646
InChI： InChI=1S/C29H42O9/c1-14-11-20(37-23(32)15(14)2)26(5,33)28(35)10-9-27(34)17-12-21-29(38-21)22(31)18(36-6)13-19(30)25(29,4)16(17)7-8-24(27,28)3/h16-18,20-22,31,33-35H,7-13H2,1-6H3/t16-,17+,18-,20+,21+,22-,24-,25-,26-,27-,28-,29-/m0/s1
InChI key： SZFJLHBQKXQARU-IPKYFDJQSA-N
SMILES： CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@@]4(C)[C@](O)(CC[C@@]4(O)[C@@](C)(O)[C@H]4CC(=C(C)C(=O)O4)C)[C@@H]3C[C@H]3O[C@@]23[C@H]1O
Systematic name  (3)：
  • (17S,20S,22R)-5,6β-エポキシ-4β,14β,17,20,22-ペンタヒドロキシ-3β-メトキシ-1-オキソ-5β-エルゴスタ-24-エン-26-酸δ-ラクトン
  • (1S,2R,5S,6S,7R,9R,11R,12S,15S,16S)-15-[(1S)-1-[(2R)-4,5-ジメチル-6-オキソ-3,6-ジヒドロ-2H-ピラン-2-イル]-1-ヒドロキシエチル]-6,12,15-トリヒドロキシ-5-メトキシ-2,16-ジメチル-8-オキサペンタシクロ[9.7.0.02,7.07,9.012,16]オクタデカン-3-オン
  • (1S,2R,5S,6S,7R,9R,11R,12S,15S,16S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-1-hydroxyethyl]-6,12,15-trihydroxy-5-methoxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-3-one
Other name (1)：
  • (17S,20S,22R)-5,6β-Epoxy-4β,14β,17,20,22-pentahydroxy-3β-methoxy-1-oxo-5β-ergosta-24-ene-26-oic acid δ-lactone
Thsaurus map：
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