Chem
J-GLOBAL ID:200907080894664863
Nikkaji number:J551.194A
Astragaloside I
アストラガロシドI
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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:
C45 H72 O16
Molecular formula furigana:
C45-H72-O16
Molecular weight:
869.055
InChI:
InChI=1S/C45H72O16/c1-21(47)56-33-24(50)19-55-38(34(33)57-22(2)48)60-28-11-13-45-20-44(45)15-14-41(7)35(43(9)12-10-29(61-43)40(5,6)54)23(49)17-42(41,8)27(44)16-25(36(45)39(28,3)4)58-37-32(53)31(52)30(51)26(18-46)59-37/h23-38,46,49-54H,10-20H2,1-9H3/t23-,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34+,35-,36-,37+,38-,41+,42-,43+,44-,45+/m0/s1
InChI key:
KXHCYYSIAXMSPA-OOCCOBHWSA-N
SMILES:
CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@@]53CC[C@]3(C)[C@H]([C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@@]2(C)CC[C@H](O2)C(C)(C)O)[C@@H]1OC(=O)C
Systematic name (3):
[(20R,24S)-3β-[(2-O,3-O-ジアセチル-β-D-キシロピラノシル)オキシ]-20,24-エポキシ-16β,25-ジヒドロキシ-9,19-シクロラノスタン-6α-イル]β-D-グルコピラノシド
(2S,3R,4S,5R)-4-(アセチルオキシ)-5-ヒドロキシ-2-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-ヒドロキシ-15-[(2R,5S)-5-(2-ヒドロキシプロパン-2-イル)-2-メチルオキソラン-2-イル]-7,7,12,16-テトラメチル-9-{[(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}ペンタシクロ[9.7.0.01,3 .03,8 .012,16 ]オクタデカン-6-イル]オキシ}オキサン-3-イル アセタート
(2S,3R,4S,5R)-4-(acetyloxy)-5-hydroxy-2-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.01,3 .03,8 .012,16 ]octadecan-6-yl]oxy}oxan-3-yl acetate
Other name (3):
アストラガロシドI
Astragaloside I
[(20R,24S)-3β-[(2-O,3-O-Diacetyl-β-D-xylopyranosyl)oxy]-20,24-epoxy-16β,25-dihydroxy-9,19-cyclolanostan-6α-yl]β-D-glucopyranoside
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