Chem
J-GLOBAL ID：200907026529862732   Nikkaji number：J828.999I

Myricalactone

ミリカラクトン
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： C30H40O4
Molecular formula furigana： C30-H40-O4
Molecular weight： 464.646
InChI： InChI=1S/C30H40O4/c1-25(2)12-14-30-15-13-27(5)17(22(30)23(25)34-24(30)33)8-9-19-28(27,6)11-10-18-26(3,4)20(31)16-21(32)29(18,19)7/h8-9,18-19,23H,10-16H2,1-7H3/t18-,19-,23+,27+,28+,29-,30-/m0/s1
InChI key： NNYQTGAHXKZEPT-YBVGXSOASA-N
SMILES： CC1(C)CC[C@]23CC[C@]4(C)C(=C2[C@H]1OC3=O)C=C[C@H]1[C@@]4(C)CC[C@H]2C(C)(C)C(=O)CC(=O)[C@]12C
Systematic name  (3)：
  • 19β-ヒドロキシ-1,3-ジオキソオレアナ-11,13(18)-ジエン-28-酸28,19-ラクトン
  • (1R,4S,5R,8S,13S,14S,19S)-4,5,9,9,13,20,20-ヘプタメチル-24-オキサヘキサシクロ[17.3.2.01,18.04,17.05,14.08,13]テトラコサ-15,17-ジエン-10,12,23-トリオン
  • (1R,4S,5R,8S,13S,14S,19S)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[17.3.2.01,18.04,17.05,14.08,13]tetracosa-15,17-diene-10,12,23-trione
Other name (3)：
  • ミリカラクトン
  • Myricalactone
  • 19β-Hydroxy-1,3-dioxooleana-11,13(18)-dien-28-oic acid 28,19-lactone
Thsaurus map：
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