Chem
J-GLOBAL ID:200907080547002478   Nikkaji number:J1.656.268H

Abutiloside I

アブチロシド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: C44H75NO13
Molecular formula furigana: C44-H75-N-O13
Molecular weight: 826.078
InChI: InChI=1S/C44H75NO13/c1-21(2)16-33(49)45-19-22(3)8-11-30(47)23(4)34-31(48)18-29-27-10-9-25-17-26(12-14-43(25,6)28(27)13-15-44(29,34)7)56-42-39(54)37(52)40(32(20-46)57-42)58-41-38(53)36(51)35(50)24(5)55-41/h21-29,31-32,34-42,46,48,50-54H,8-20H2,1-7H3,(H,45,49)/t22?,23-,24+,25+,26+,27-,28+,29+,31-,32-,34+,35+,36-,37-,38-,39-,40-,41+,42-,43+,44+/m1/s1
InChI key: GFQILTPWOINTFP-JSPLSBQBSA-N
SMILES: CC(C)CC(=O)NCC(C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O
Systematic name  (3):
  • 3β-(4-O-α-L-ラムノピラノシル-β-D-グルコピラノシルオキシ)-16α-ヒドロキシ-26-(イソバレリルアミノ)-5α-コレスタン-22-オン
  • N-[(6S)-6-[(1R,2R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4R,5R,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}オキサン-2-イル]オキシ}-2-ヒドロキシ-9a,11a-ジメチル-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-メチル-5-オキソヘプチル]-3-メチルブタンアミド
  • N-[(6S)-6-[(1R,2R,3aS,3bR,5aS,7S,9aS,9bS,11aS)-7-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methyl-5-oxoheptyl]-3-methylbutanamide
Other name (3):
  • 3β-(4-O-α-L-Rhamnopyranosyl-β-D-glucopyranosyloxy)-16α-hydroxy-26-(isovalerylamino)-5α-cholestane-22-one
  • アブチロシドI
  • Abutiloside I
Thsaurus map:

Return to Previous Page