Chem
J-GLOBAL ID：200907024771664195   Nikkaji number：J15.724D

Acolongifloroside K

アコロンギフロロシドK
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： C29H44O12
Molecular formula furigana： C29-H44-O12
Molecular weight： 584.659
InChI： InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22+,23+,24+,25-,26+,27-,28+,29-/m0/s1
InChI key： LPMXVESGRSUGHW-PUBTVXBGSA-N
SMILES： C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 3β-[(6-デオキシ-α-L-タロピラノシル)オキシ]-1β,5,11α,14,19-ペンタヒドロキシ-5β-カルダ-20(22)-エノリド
  • 4-[(1R,3aS,3bR,5aS,7S,9R,9aR,9bS,10R,11aR)-3a,5a,9,10-テトラヒドロキシ-9a-(ヒドロキシメチル)-11a-メチル-7-{[(2R,3R,4R,5S,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2,5-ジヒドロフラン-2-オン
  • 4-[(1R,3aS,3bR,5aS,7S,9R,9aR,9bS,10R,11aR)-3a,5a,9,10-tetrahydroxy-9a-(hydroxymethyl)-11a-methyl-7-{[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
Other name (5)：
  • アコロンギフロロシドK
  • アコロンギフルオロシドK
  • Acolongifloroside K
  • Acolongifluoroside K
  • 3β-[(6-Deoxy-α-L-talopyranosyl)oxy]-1β,5,11α,14,19-pentahydroxy-5β-card-20(22)-enolide
CAS registry number： 6251-64-5
Regulation number (1)：
  • FH4919000
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