Chem
J-GLOBAL ID：201107061796498762   Nikkaji number：J2.963.917E

(17S,20S,22R)-6β,14,17,20,22-Pentahydroxy-5-butoxy-1-oxo-5α-ergosta-2,24-diene-26-oic acid δ-lactone

(17S,20S,22R)-6β,14,17,20,22-ペンタヒドロキシ-5-ブトキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-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： C32H48O8
Molecular formula furigana： C32-H48-O8
Molecular weight： 560.728
InChI： InChI=1S/C32H48O8/c1-7-8-16-39-31-12-9-10-23(33)28(31,5)21-11-13-27(4)30(37,22(21)18-24(31)34)14-15-32(27,38)29(6,36)25-17-19(2)20(3)26(35)40-25/h9-10,21-22,24-25,34,36-38H,7-8,11-18H2,1-6H3/t21-,22+,24+,25+,27-,28-,29-,30+,31-,32-/m0/s1
InChI key： ZHBITMCSRIOTJD-ZKQDENMYSA-N
SMILES： CCCCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@@]3(C)[C@@](O)(CC[C@@]3(O)[C@@](C)(O)[C@H]3CC(=C(C)C(=O)O3)C)[C@@H]1C[C@H]2O
Systematic name  (3)：
  • (17S,20S,22R)-6β,14,17,20,22-ペンタヒドロキシ-5-ブトキシ-1-オキソ-5α-エルゴスタ-2,24-ジエン-26-酸δ-ラクトン
  • (6R)-6-[(1S)-1-[(1S,3aR,3bR,5R,5aR,9aR,9bS,11aS)-5a-ブトキシ-1,3a,5-トリヒドロキシ-9a,11a-ジメチル-9-オキソ-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-1-ヒドロキシエチル]-3,4-ジメチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6R)-6-[(1S)-1-[(1S,3aR,3bR,5R,5aR,9aR,9bS,11aS)-5a-butoxy-1,3a,5-trihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-1-hydroxyethyl]-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one
Other name (1)：
  • (17S,20S,22R)-6β,14,17,20,22-Pentahydroxy-5-butoxy-1-oxo-5α-ergosta-2,24-diene-26-oic acid δ-lactone
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