Chem
J-GLOBAL ID:200907080314281210
Nikkaji number:J2.348.828K
(1R,2S,5E,9E,12S)-1,5,9-Trimethyl-12-isopropyl-15-oxabicyclo[10.2.1]pentadeca-5,9-diene-2-ol acetate
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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:
C22 H36 O3
Molecular formula furigana:
C22-H36-O3
Molecular weight:
348.527
InChI:
InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12-/t20-,21+,22+/m0/s1
InChI key:
HVBACKJYWZTKCA-WRKUMSJMSA-N
SMILES:
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC/C(=C/CC/C(=C\C2)/C)/C)OC(=O)C
Systematic name (3):
(1R,2S,5E,9E,12S)-1,5,9-トリメチル-12-イソプロピル-15-オキサビシクロ[10.2.1]ペンタデカ-5,9-ジエン-2-オールアセタート
(1R,2S,9Z,12S)-1,5,9-トリメチル-12-(プロパン-2-イル)-15-オキサビシクロ[10.2.1]ペンタデカ-5,9-ジエン-2-イル アセタート
(1R,2S,9Z,12S)-1,5,9-trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate
Other name (2):
(1R,2S,5E,9E,12S)-1,5,9-Trimethyl-12-isopropyl-15-oxabicyclo[10.2.1]pentadeca-5,9-diene-2-ol acetate
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