Chem
J-GLOBAL ID:200907046830160825   Nikkaji number:J690.452A

Isoalangiside

イソアランギシド
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: C25H31NO10
Molecular formula furigana: C25-H31-N-O10
Molecular weight: 505.520
InChI: InChI=1S/C25H31NO10/c1-3-12-14-7-16-13-8-17(28)18(33-2)6-11(13)4-5-26(16)23(32)15(14)10-34-24(12)36-25-22(31)21(30)20(29)19(9-27)35-25/h3,6,8,10,12,14,16,19-22,24-25,27-31H,1,4-5,7,9H2,2H3/t12-,14+,16+,19-,20-,21+,22-,24+,25+/m1/s1
InChI key: BCYNGTTVQNJTCV-ONGZBVEHSA-N
SMILES: COc1cc2CCN3[C@@H](C[C@H]4[C@@H](C=C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4C3=O)c2cc1O
Systematic name  (3):
  • (11S)-2-ヒドロキシ-3-メトキシ-11β-(β-D-グルコピラノシルオキシ)-12α-ビニル-5,11,12,12aβ,13,13aα-ヘキサヒドロ-6H,8H-ベンゾ[a]ピラノ[3,4-g]キノリジン-8-オン
  • (3S,4R,4aS,5aS)-4-エテニル-7-ヒドロキシ-8-メトキシ-3-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,4,4a,5,5a,10,11,13-オクタヒドロ-2-オキサ-12-アザテトラフェン-13-オン
  • (3S,4R,4aS,5aS)-4-ethenyl-7-hydroxy-8-methoxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,4a,5,5a,10,11,13-octahydro-2-oxa-12-azatetraphen-13-one
Other name (3):
  • イソアランギシド
  • Isoalangiside
  • (11S)-2-Hydroxy-3-methoxy-11β-(β-D-glucopyranosyloxy)-12α-vinyl-5,11,12,12aβ,13,13aα-hexahydro-6H,8H-benzo[a]pyrano[3,4-g]quinolizin-8-one
CAS registry number: 57128-91-3
KEGG COMPOUND: C11815
Thsaurus map:

Return to Previous Page