Chem
J-GLOBAL ID：200907057876365300   Nikkaji number：J2.677.627I

(2R)-2-Hydroxyisovaleric acid (1S,8aα)-1,4aβ,6α-trimethyl-1α-(4-methyl-pentyl)-5α-(2-oxo-4-hydroxy-5,6-dimethyl-2H-pyran-3-ylmethyl)decalin-2β-yl ester

(2R)-2-ヒドロキシイソ吉草酸(1S,8aα)-1,4aβ,6α-トリメチル-1α-(4-メチル-ペンチル)-5α-(2-オキソ-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-3-イルメチル)デカリン-2β-イル
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： C32H52O6
Molecular formula furigana： C32-H52-O6
Molecular weight： 532.762
InChI： InChI=1S/C32H52O6/c1-18(2)11-10-15-32(9)25-13-12-20(5)24(17-23-28(34)21(6)22(7)37-29(23)35)31(25,8)16-14-26(32)38-30(36)27(33)19(3)4/h18-20,24-27,33-34H,10-17H2,1-9H3/t20-,24-,25-,26+,27-,31-,32+/m1/s1
InChI key： QNKQIVLIKBLFGL-UXIMMKLZSA-N
SMILES： CC(C)CCC[C@]1(C)[C@H](CC[C@]2(C)[C@H](Cc3c(O)c(C)c(C)oc3=O)[C@H](C)CC[C@@H]12)OC(=O)[C@H](O)C(C)C
Systematic name  (3)：
  • (2R)-2-ヒドロキシイソ吉草酸(1S,8aα)-1,4aβ,6α-トリメチル-1α-(4-メチル-ペンチル)-5α-(2-オキソ-4-ヒドロキシ-5,6-ジメチル-2H-ピラン-3-イルメチル)デカリン-2β-イル
  • (1S,2S,4aR,5R,6R,8aR)-5-[(4-ヒドロキシ-5,6-ジメチル-2-オキソ-2H-ピラン-3-イル)メチル]-1,4a,6-トリメチル-1-(4-メチルペンチル)-デカヒドロナフタレン-2-イル (2R)-2-ヒドロキシ-3-メチルブタノアート
  • (1S,2S,4aR,5R,6R,8aR)-5-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-1,4a,6-trimethyl-1-(4-methylpentyl)-decahydronaphthalen-2-yl (2R)-2-hydroxy-3-methylbutanoate
Other name (1)：
  • (2R)-2-Hydroxyisovaleric acid (1S,8aα)-1,4aβ,6α-trimethyl-1α-(4-methyl-pentyl)-5α-(2-oxo-4-hydroxy-5,6-dimethyl-2H-pyran-3-ylmethyl)decalin-2β-yl ester
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