Chem
J-GLOBAL ID:200907025406616501   Nikkaji number:J1.496.026K

Sipholenoside

シホレノシドB
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: C36H62O8
Molecular formula furigana: C36-H62-O8
Molecular weight: 622.884
InChI: InChI=1S/C36H62O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h10,21-31,37-41H,11-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,36+/m0/s1
InChI key: YDXLHORABGUKRX-FCLHIJNOSA-N
SMILES: C[C@@H]1O[C@@H](O[C@]2(C)CC[C@@H]3[C@H]2CC=C(C)[C@H](CC[C@H]2[C@@](C)(O)CC[C@H]4OC(C)(C)[C@H](O)CC[C@]24C)C3(C)C)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3):
  • (5aR,9aα)-デカヒドロ-2,2,5aβ,7-テトラメチル-6β-[2-[(1R)-1,2,3,3aα,4,5,8,8aα-オクタヒドロ-1α-(α-L-ラムノピラノシルオキシ)-1,4,4,6-テトラメチルアズレン-5β-イル]エチル]-1-ベンゾオキセピン-3α,7β-ジオール
  • (2S,3R,4R,5R,6S)-2-{[(1R,3aR,5S,8aR)-5-{2-[(3R,5aR,6R,7S,9aR)-3,7-ジヒドロキシ-2,2,5a,7-テトラメチル-デカヒドロ-1-ベンゾオキセピン-6-イル]エチル}-1,4,4,6-テトラメチル-1,2,3,3a,4,5,8,8a-オクタヒドロアズレン-1-イル]オキシ}-6-メチルオキサン-3,4,5-トリオール
  • (2S,3R,4R,5R,6S)-2-{[(1R,3aR,5S,8aR)-5-{2-[(3R,5aR,6R,7S,9aR)-3,7-dihydroxy-2,2,5a,7-tetramethyl-decahydro-1-benzoxepin-6-yl]ethyl}-1,4,4,6-tetramethyl-1,2,3,3a,4,5,8,8a-octahydroazulen-1-yl]oxy}-6-methyloxane-3,4,5-triol
Other name (3):
  • (5aR,9aα)-Decahydro-2,2,5aβ,7-tetramethyl-6β-[2-[(1R)-1,2,3,3aα,4,5,8,8aα-octahydro-1α-(α-L-rhamnopyranosyloxy)-1,4,4,6-tetramethylazulene-5β-yl]ethyl]-1-benzoxepin-3α,7β-diol
  • シホレノシドB
  • Sipholenoside
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