Chem
J-GLOBAL ID：200907005705697185   Nikkaji number：J428.790H

Neoabietal

ネオアビエタール
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： C20H30O
Molecular formula furigana： C20-H30-O
Molecular weight： 286.459
InChI： InChI=1S/C20H30O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12-13,17-18H,5-11H2,1-4H3/t17-,18-,19-,20+/m0/s1
InChI key： JPCTZWFFRZZTMM-LWYYNNOASA-N
SMILES： CC(=C1CC[C@H]2C(=C1)CC[C@H]1[C@@](C)(CCC[C@]21C)C=O)C
Systematic name  (4)：
  • アビエタ-8(14),13(15)-ジエン-18-アール
  • (1R)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-ドデカヒドロ-1,4aβ-ジメチル-7-イソプロピリデン-1α-フェナントレンカルボアルデヒド
  • (1R,4aR,4bS,10aR)-1,4a-ジメチル-7-(プロパン-2-イリデン)-1,2,3,4,4a,4b,5,6,7,9,10,10a-ドデカヒドロフェナントレン-1-カルバルデヒド
  • (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde
Other name (6)：
  • Abieta-8(14),13(15)-dien-18-al
  • (1R)-1,2,3,4,4a,4bα,5,6,7,9,10,10aα-Dodecahydro-1,4aβ-dimethyl-7-isopropylidene-1α-phenanthrenecarbaldehyde
  • Neoabietal
  • Neoabietinal
  • ネオアビエタール
Show all
CAS registry number： 19898-57-8
KEGG COMPOUND： C11885
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