Chem
J-GLOBAL ID：200907070193559628   Nikkaji number：J1.786.810A

Scillascilloside E-1

シラシロシドE-1
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： C58H94O26
Molecular formula furigana： C58-H94-O26
Molecular weight： 1207.364
InChI： InChI=1S/C58H94O26/c1-9-27(61)29-18-23(2)58(84-29)17-16-56(7)26-10-11-33-54(4,5)34(13-14-55(33,6)25(26)12-15-57(56,58)8)80-50-44(72)42(70)38(66)32(79-50)22-75-52-47(36(64)28(62)21-74-52)82-53-48(83-49-43(71)40(68)35(63)24(3)76-49)46(39(67)31(20-60)78-53)81-51-45(73)41(69)37(65)30(19-59)77-51/h23-24,28-53,59-60,62-73H,9-22H2,1-8H3/t23-,24+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-,46+,47-,48-,49+,50+,51+,52+,53+,55-,56+,57+,58+/m1/s1
InChI key： YBBLPLLLUGPPPH-CVISDNNUSA-N
SMILES： CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC4)O1
Systematic name  (3)：
  • (23S)-3β-[6-O-[2-O-(2-O-α-L-ラムノピラノシル-3-O-β-D-グルコピラノシル-β-D-グルコピラノシル)-α-L-アラビノピラノシル]-β-D-グルコピラノシルオキシ]-17,23-エポキシ-27-ノル-5α-ラノスタ-8-エン-24-オン
  • 1-[(1S,3'R,3aS,5'S,5aR,7S,9aS,11aS)-7-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(2S,3R,4S,5R,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(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-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3',3a,6,6,9a,11a-ヘキサメチル-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-オキソラン]-5'-イル]プロパン-1-オン
  • 1-[(1S,3'R,3aS,5'S,5aR,7S,9aS,11aS)-7-{[(2R,3R,4S,5S,6R)-6-({[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3',3a,6,6,9a,11a-hexamethyl-2,3,3a,4,5,5a,6,7,8,9,9a,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-5'-yl]propan-1-one
Other name (3)：
  • (23S)-3β-[6-O-[2-O-(2-O-α-L-Rhamnopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]-β-D-glucopyranosyloxy]-17,23-epoxy-27-nor-5α-lanost-8-en-24-one
  • シラシロシドE-1
  • Scillascilloside E-1
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