Chem
J-GLOBAL ID：200907070184453574   Nikkaji number：J18.931F

Jolkinol B

ジョルキノールB
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： C29H36O5
Molecular formula furigana： C29-H36-O5
Molecular weight： 464.602
InChI： InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26-,28+,29+/m0/s1
InChI key： OMBNGHNNZSKBRK-RSVMWFHBSA-N
SMILES： C[C@H]1C[C@@]2(OC(=O)/C=C/c3ccccc3)[C@@H]([C@@H]3O[C@]3(C)CC[C@H]3[C@@H](/C=C(\C)/C2=O)C3(C)C)[C@H]1O
Systematic name  (3)：
  • (E)-3-フェニルプロペン酸[(1aS,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-ドデカヒドロ-2-ヒドロキシ-3,6,8,8,10a-ペンタメチル-5-オキソ-4aH-シクロペンタ[3,4]シクロプロパ[8,9]シクロウンデカ[1,2-b]オキシレン-4a-イル]
  • (1R,2S,4R,7S,9R,10E,13R,15S,16S)-16-ヒドロキシ-4,8,8,11,15-ペンタメチル-12-オキソ-3-オキサテトラシクロ[11.3.0.02,4.07,9]ヘキサデカ-10-エン-13-イル (2E)-3-フェニルプロパ-2-エノアート
  • (1R,2S,4R,7S,9R,10E,13R,15S,16S)-16-hydroxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-13-yl (2E)-3-phenylprop-2-enoate
Other name (3)：
  • ジョルキノールB
  • Jolkinol B
  • (E)-3-Phenylpropenoic acid [(1aS,1bR,2S,3S,4aR,6E,7aR,8aS,10aR)-1a,1b,2,3,4,5,7a,8,8a,9,10,10a-dodecahydro-2-hydroxy-3,6,8,8,10a-pentamethyl-5-oxo-4aH-cyclopenta[3,4]cyclopropa[8,9]cycloundec[1,2-b]oxiren-4a-yl] ester
CAS registry number： 62820-12-6
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