Chem
J-GLOBAL ID：200907058091172575   Nikkaji number：J782.501C

2-O-Glucosylsamaderine C

2-O-グルコシルサマデリンC
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： C25H34O12
Molecular formula furigana： C25-H34-O12
Molecular weight： 526.535
InChI： InChI=1S/C25H34O12/c1-8-4-10(35-22-15(30)14(29)13(28)11(6-26)36-22)19(32)23(2)9(8)5-12(27)25-7-34-24(3)18(25)21(33)37-20(24)16(31)17(23)25/h4,9-11,13-20,22,26,28-32H,5-7H2,1-3H3/t9-,10-,11+,13+,14-,15+,16+,17+,18-,19+,20-,22+,23-,24-,25+/m0/s1
InChI key： XKHBVJKBHHZGGQ-FUDFEDLXSA-N
SMILES： CC1=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]13CO[C@]4(C)[C@@H](OC(=O)[C@H]14)[C@H](O)[C@H]23
Systematic name  (3)：
  • (14S)-1β,11β-ジヒドロキシ-8,11aβ,14-トリメチル-10α-(β-D-グルコピラノシルオキシ)-7,7aα,10,11,11a,11bα-ヘキサヒドロ-2H-5aβ,2β,5β-(メタノキシメテノ)ナフト[1,2-d]オキセピン-4,6(1H,5H)-ジオン
  • (1R,4S,5R,8S,9R,10R,11S,12S,13S,16S)-9,12-ジヒドロキシ-4,11,15-トリメチル-13-{[(2R,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}-3,7-ジオキサペンタシクロ[8.8.0.01,5.04,8.011,16]オクタデカ-14-エン-6,18-ジオン
  • (1R,4S,5R,8S,9R,10R,11S,12S,13S,16S)-9,12-dihydroxy-4,11,15-trimethyl-13-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,7-dioxapentacyclo[8.8.0.01,5.04,8.011,16]octadec-14-ene-6,18-dione
Other name (3)：
  • 2-O-グルコシルサマデリンC
  • 2-O-Glucosylsamaderine C
  • (14S)-1β,11β-Dihydroxy-8,11aβ,14-trimethyl-10α-(β-D-glucopyranosyloxy)-7,7aα,10,11,11a,11bα-hexahydro-2H-5aβ,2β,5β-(methanoxymetheno)naphth[1,2-d]oxepin-4,6(1H,5H)-dione
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