Chem
J-GLOBAL ID：200907000264278619   Nikkaji number：J2.041.945H

FR-171456

3,8,11-トリヒドロキシ-1,6-ジオキソ-24-メチレン-30-ノル-5α-シクロアルタン-28-酸
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： C30H44O7
Molecular formula furigana： C30-H44-O7
Molecular weight： 516.674
InChI： InChI=1S/C30H44O7/c1-15(2)16(3)7-8-17(4)18-9-10-20-26(18,5)13-23(34)29-14-28(29)22(33)11-21(32)27(6,25(35)36)24(28)19(31)12-30(20,29)37/h15,17-18,20-21,23-24,32,34,37H,3,7-14H2,1-2,4-6H3,(H,35,36)/t17-,18-,20-,21?,23?,24+,26-,27-,28+,29+,30-/m1/s1
InChI key： JAHGNOXPMXOEJS-HBICWKGUSA-N
SMILES： CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC(O)[C@@]13C[C@@]41[C@@H](C(=O)C[C@@]23O)[C@@](C)(C(O)CC4=O)C(=O)O
Systematic name  (3)：
  • 3,8,11-トリヒドロキシ-1,6-ジオキソ-24-メチレン-30-ノル-5α-シクロアルタン-28-酸
  • (1R,3S,7S,8R,11R,12R,15R,16R)-6,11,18-トリヒドロキシ-7,16-ジメチル-15-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]-4,9-ジオキソペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-7-カルボン酸
  • (1R,3S,7S,8R,11R,12R,15R,16R)-6,11,18-trihydroxy-7,16-dimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]-4,9-dioxopentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
Other name (2)：
  • 3,8,11-Trihydroxy-1,6-dioxo-24-methylene-30-nor-5α-cycloartane-28-oic acid
  • FR-171456
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