Chem
J-GLOBAL ID：200907094050043961   Nikkaji number：J768.830J

Ophiopogonin A

オフィオポゴニンA
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： C41H64O13
Molecular formula furigana： C41-H64-O13
Molecular weight： 764.950
InChI： InChI=1S/C41H64O13/c1-18-10-13-41(48-17-18)19(2)30-28(54-41)16-27-25-9-8-23-14-24(43)15-29(40(23,7)26(25)11-12-39(27,30)6)52-38-36(33(46)31(44)20(3)50-38)53-37-34(47)35(51-22(5)42)32(45)21(4)49-37/h8,18-21,24-38,43-47H,9-17H2,1-7H3/t18-,19+,20-,21+,24-,25-,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChI key： KSIVGTKSVYIZEB-GDUJLLAZSA-N
SMILES： C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](OC(=O)C)[C@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]21CC[C@@H](C)CO2
Systematic name  (3)：
  • (25R)-1β-[2-O-(3-O-アセチル-α-L-ラムノピラノシル)-β-D-フコピラノシルオキシ]スピロスタ-5-エン-3β-オール
  • (2S,3R,4R,5S,6S)-2-{[(2R,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-メチル-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-5,7',9',13'-テトラメチル-5'-オキサスピロ[オキサン-2,6'-ペンタシクロ[10.8.0.02,9.04,8.013,18]イコサン]-18'-エン-16'-オロキシ]オキサン-3-イル]オキシ}-3,5-ジヒドロキシ-6-メチルオキサン-4-イル アセタート
  • (2S,3R,4R,5S,6S)-2-{[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-2-[(1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,14'R,16'R)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.02,9.04,8.013,18]icosan]-18'-en-16'-oloxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-methyloxan-4-yl acetate
Other name (3)：
  • オフィオポゴニンA
  • Ophiopogonin A
  • (25R)-1β-[2-O-(3-O-Acetyl-α-L-rhamnopyranosyl)-β-D-fucopyranosyloxy]spirost-5-en-3β-ol
CAS registry number： 11054-24-3
KEGG COMPOUND： C17041
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