Chem
J-GLOBAL ID：200907051088579325   Nikkaji number：J973.091E

YW-3699

YW-3699
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： C34H52O6
Molecular formula furigana： C34-H52-O6
Molecular weight： 556.784
InChI： InChI=1S/C34H52O6/c1-10-19(4)14-33(9,38)17-28(35)40-27-16-32(8)15-24-20(5)11-12-25-21(6)30(36)31(37)34(25,39)22(7)23(24)13-26(32)29(27)18(2)3/h11,18-19,23-27,29,36,38-39H,7,10,12-17H2,1-6,8-9H3/t19?,23-,24-,25+,26+,27-,29-,32+,33?,34-/m0/s1
InChI key： XCBZBPKHZFIJGF-POHJQPAKSA-N
SMILES： CCC(C)CC(C)(O)CC(=O)O[C@H]1C[C@@]2(C)C[C@@H]3[C@@H](C[C@@H]2[C@@H]1C(C)C)C(=C)[C@]1(O)[C@H](CC=C3C)C(=C(O)C1=O)C
Systematic name  (3)：
  • 3-ヒドロキシ-3,5-ジメチルヘプタン酸(3aR,6aR,8R,9R,10aR,11aR,12S,13S)-1-オキソ-2,11a-ジヒドロキシ-3,6,8-トリメチル-11-メチレン-12-イソプロピル-3a,4,6a,7,8,9,10,10a,11,11a-デカヒドロ-8,9-プロパノ-1H-ベンゾ[a]シクロペンタ[d]シクロオクテン-13-イル
  • (1R,3R,7R,11R,13R,15S,16S,17R)-3,5-ジヒドロキシ-6,10,13-トリメチル-2-メチリデン-4-オキソ-16-(プロパン-2-イル)テトラシクロ[9.7.0.03,7.013,17]オクタデカ-5,9-ジエン-15-イル 3-ヒドロキシ-3,5-ジメチルヘプタノアート
  • (1R,3R,7R,11R,13R,15S,16S,17R)-3,5-dihydroxy-6,10,13-trimethyl-2-methylidene-4-oxo-16-(propan-2-yl)tetracyclo[9.7.0.03,7.013,17]octadeca-5,9-dien-15-yl 3-hydroxy-3,5-dimethylheptanoate
Other name (2)：
  • 3-Hydroxy-3,5-dimethylheptanoic acid (3aR,6aR,8R,9R,10aR,11aR,12S,13S)-1-oxo-2,11a-dihydroxy-3,6,8-trimethyl-11-methylene-12-isopropyl-3a,4,6a,7,8,9,10,10a,11,11a-decahydro-8,9-propano-1H-benzo[a]cyclopenta[d]cyclooctene-13-yl ester
  • YW-3699
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