Chem
J-GLOBAL ID:200907097202315368   Nikkaji number:J8.736J

Jasmolin I

ジャスモリンI
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: C21H30O3
Molecular formula furigana: C21-H30-O3
Molecular weight: 330.468
InChI: InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1
InChI key: NZKIRHFOLVYKFT-VUMXUWRFSA-N
SMILES: CC/C=C\CC1=C(C)[C@H](CC1=O)OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
Systematic name  (3):
  • (1R)-2,2-ジメチル-3α-(2-メチル-1-プロペニル)シクロプロパンカルボン酸(S)-2-メチル-4-オキソ-3-[(Z)-2-ペンテニル]-2-シクロペンテン-1-イル
  • (1S)-2-メチル-4-オキソ-3-[(2Z)-ペンタ-2-エン-1-イル]シクロペンタ-2-エン-1-イル (1R,3R)-2,2-ジメチル-3-(2-メチルプロパ-1-エン-1-イル)シクロプロパン-1-カルボキシラート
  • (1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
Other name (3):
  • ジャスモリンI
  • Jasmolin I
  • (1R)-2,2-Dimethyl-3α-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (S)-2-methyl-4-oxo-3-[(Z)-2-pentenyl]-2-cyclopenten-1-yl ester
CAS registry number: 4466-14-2
KEGG COMPOUND: C16780
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