Chem
J-GLOBAL ID:200907013466971922   Nikkaji number:J1.248.400C

3,4-Bis(benzyloxy)phenethyl 4-O-[(E)-3,4-bis(benzyloxy)cinnamoyl]-2-O,6-O-diacetyl-3-O-(2-O,3-O,4-O-triacetyl-α-L-rhamnopyranosyl)-β-D-glucopyranoside

3,4-ビス(ベンジルオキシ)フェネチル4-O-[(E)-3,4-ビス(ベンジルオキシ)シンナモイル]-2-O,6-O-ジアセチル-3-O-(2-O,3-O,4-O-トリアセチル-α-L-ラムノピラノシル)-β-D-グルコピラノシド
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: C67H70O20
Molecular formula furigana: C67-H70-O20
Molecular weight: 1195.277
InChI: InChI=1S/C67H70O20/c1-42-60(81-44(3)69)62(82-45(4)70)65(84-47(6)72)67(80-42)87-63-61(86-59(73)32-29-48-27-30-54(76-37-50-19-11-7-12-20-50)56(35-48)78-39-52-23-15-9-16-24-52)58(41-75-43(2)68)85-66(64(63)83-46(5)71)74-34-33-49-28-31-55(77-38-51-21-13-8-14-22-51)57(36-49)79-40-53-25-17-10-18-26-53/h7-32,35-36,42,58,60-67H,33-34,37-41H2,1-6H3/b32-29+/t42-,58+,60-,61+,62+,63-,64+,65+,66+,67-/m0/s1
InChI key: AAKVOXWGYZQSCC-AIQKTOSVSA-N
SMILES: C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)/C=C/c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)[C@@H](COC(=O)C)O[C@@H](OCCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)[C@@H]2OC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C
Systematic name  (3):
  • 3,4-ビス(ベンジルオキシ)フェネチル4-O-[(E)-3,4-ビス(ベンジルオキシ)シンナモイル]-2-O,6-O-ジアセチル-3-O-(2-O,3-O,4-O-トリアセチル-α-L-ラムノピラノシル)-β-D-グルコピラノシド
  • (2R,3R,4S,5R,6R)-5-(アセチルオキシ)-2-[(アセチルオキシ)メチル]-6-{2-[3,4-ビス(ベンジルオキシ)フェニル]エトキシ}-4-{[(2S,3R,4R,5S,6S)-3,4,5-トリス(アセチルオキシ)-6-メチルオキサン-2-イル]オキシ}オキサン-3-イル (2E)-3-[3,4-ビス(ベンジルオキシ)フェニル]プロパ-2-エノアート
  • (2R,3R,4S,5R,6R)-5-(acetyloxy)-2-[(acetyloxy)methyl]-6-{2-[3,4-bis(benzyloxy)phenyl]ethoxy}-4-{[(2S,3R,4R,5S,6S)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-[3,4-bis(benzyloxy)phenyl]prop-2-enoate
Other name (1):
  • 3,4-Bis(benzyloxy)phenethyl 4-O-[(E)-3,4-bis(benzyloxy)cinnamoyl]-2-O,6-O-diacetyl-3-O-(2-O,3-O,4-O-triacetyl-α-L-rhamnopyranosyl)-β-D-glucopyranoside
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