Chem
J-GLOBAL ID：200907075025610903   Nikkaji number：J2.677.626K

Hexanoic acid (1S,8aα)-1,4aβ-dimethyl-6-methylene-1α-(4-methyl-3-pentenyl)-5α-(2-methoxy-4-oxo-5,6-dimethyl-4H-pyran-3-ylmethyl)decalin-2β-yl ester

ヘキサン酸(1S,8aα)-1,4aβ-ジメチル-6-メチレン-1α-(4-メチル-3-ペンテニル)-5α-(2-メトキシ-4-オキソ-5,6-ジメチル-4H-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： C34H52O5
Molecular formula furigana： C34-H52-O5
Molecular weight： 540.785
InChI： InChI=1S/C34H52O5/c1-10-11-12-15-30(35)39-29-18-20-33(7)27(21-26-31(36)24(5)25(6)38-32(26)37-9)23(4)16-17-28(33)34(29,8)19-13-14-22(2)3/h14,27-29H,4,10-13,15-21H2,1-3,5-9H3/t27-,28-,29+,33-,34+/m1/s1
InChI key： BTHRGPCXUPGGJO-ZRNDTCIQSA-N
SMILES： CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H](Cc3c(OC)oc(C)c(C)c3=O)C(=C)CC[C@H]2[C@]1(C)CCC=C(C)C
Systematic name  (3)：
  • ヘキサン酸(1S,8aα)-1,4aβ-ジメチル-6-メチレン-1α-(4-メチル-3-ペンテニル)-5α-(2-メトキシ-4-オキソ-5,6-ジメチル-4H-ピラン-3-イルメチル)デカリン-2β-イル
  • (1S,2S,4aR,5R,8aR)-5-[(2-メトキシ-5,6-ジメチル-4-オキソ-4H-ピラン-3-イル)メチル]-1,4a-ジメチル-6-メチリデン-1-(4-メチルペンタ-3-エン-1-イル)-デカヒドロナフタレン-2-イル ヘキサノアート
  • (1S,2S,4aR,5R,8aR)-5-[(2-methoxy-5,6-dimethyl-4-oxo-4H-pyran-3-yl)methyl]-1,4a-dimethyl-6-methylidene-1-(4-methylpent-3-en-1-yl)-decahydronaphthalen-2-yl hexanoate
Other name (1)：
  • Hexanoic acid (1S,8aα)-1,4aβ-dimethyl-6-methylene-1α-(4-methyl-3-pentenyl)-5α-(2-methoxy-4-oxo-5,6-dimethyl-4H-pyran-3-ylmethyl)decalin-2β-yl ester
Thsaurus map：
Thesaurus Map

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