Chem
J-GLOBAL ID：200907071461136260   Nikkaji number：J705.747D

(3S)-Deoxypumiloside

(3S)-デオキシプミロシド
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： C26H28N2O8
Molecular formula furigana： C26-H28-N2-O8
Molecular weight： 496.516
InChI： InChI=1S/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1
InChI key： BNDDTTIRGZIQSE-ZEZHKYRDSA-N
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(Cc5cc6ccccc6nc45)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (3S)-3β-(β-D-グルコピラノシルオキシ)-4α-エテニル-3,4,4aβ,5,5aα,12-ヘキサヒドロ-14H-ピラノ[3′,4′:6,7]インドリジノ[1,2-b]キノリン-14-オン
  • (1S,18S,19R,20S)-19-エテニル-18-{[(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}-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,11.04,9.015,20]ヘンイコサ-2(11),3,5,7,9,15-ヘキサエン-14-オン
  • (1S,18S,19R,20S)-19-ethenyl-18-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),3,5,7,9,15-hexaen-14-one
Other name (5)：
  • (3S)-3β-(β-D-Glucopyranosyloxy)-4α-ethenyl-3,4,4aβ,5,5aα,12-hexahydro-14H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinolin-14-one
  • 3(S)-デオキシプミロシド
  • 3(S)-Deoxypumiloside
  • (3S)-デオキシプミロシド
  • (3S)-Deoxypumiloside
KEGG COMPOUND： C16725
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