Chem
J-GLOBAL ID：200907066011717773   Nikkaji number：J2.015.438A

Cerleaside A

セルレアシドA
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： C30H44O8
Molecular formula furigana： C30-H44-O8
Molecular weight： 532.674
InChI： InChI=1S/C30H44O8/c1-16-23(32)25(35-4)24(33)26(37-16)38-19-6-9-28(2)18(14-19)5-11-30-12-7-20(17-13-22(31)36-15-17)29(3,27(30)34)10-8-21(28)30/h13,16,18-21,23-26,32-33H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21+,23-,24-,25+,26-,28-,29+,30-/m0/s1
InChI key： SWTJRDUVJNXNMX-FDZAREAZSA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]45CC[C@H](C6=CC(=O)OC6)[C@@](C)(CC[C@H]34)C5=O)C2)[C@H]1O
Systematic name  (3)：
  • 3β-(3-O-メチル-6-デオキシ-α-L-グルコピラノシルオキシ)-14-オキソ-8,15-シクロ-14,15-セコ-5β,14β-カルダ-20(22)-エノリド
  • 4-[(1S,4R,6S,9S,10R,13R,14R)-6-{[(2R,3S,4R,5S,6S)-3,5-ジヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-9,13-ジメチル-17-オキソテトラシクロ[11.3.1.01,10.04,9]ヘプタデカン-14-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1S,4R,6S,9S,10R,13R,14R)-6-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-9,13-dimethyl-17-oxotetracyclo[11.3.1.01,10.04,9]heptadecan-14-yl]-2,5-dihydrofuran-2-one
Other name (3)：
  • 3β-(3-O-Methyl-6-deoxy-α-L-glucopyranosyloxy)-14-oxo-8,15-cyclo-14,15-seco-5β,14β-carda-20(22)-enolide
  • Cerleaside A
  • セルレアシドA
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