Chem
J-GLOBAL ID:200907014365047910
Nikkaji number:J2.765.655B
Anthemis glycoside B
アンテミスグリコシドB
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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:
C34 H41 NO17
Molecular formula furigana:
C34-H41-N-O17
Molecular weight:
735.692
InChI:
InChI=1S/C34H41NO17/c35-12-19(17-4-2-1-3-5-17)50-34-31(45)28(42)25(39)22(52-34)15-47-32-29(43)26(40)21(14-46-32)49-23(37)11-8-16-6-9-18(10-7-16)48-33-30(44)27(41)24(38)20(13-36)51-33/h1-11,19-22,24-34,36,38-45H,13-15H2/b11-8+/t19-,20-,21-,22-,24-,25-,26+,27+,28+,29-,30-,31-,32+,33-,34-/m1/s1
InChI key:
HIRMPNNQGZEXOM-ZXSTXTMUSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)O[C@@H]3CO[C@@H](OC[C@H]4O[C@@H](O[C@H](C#N)c5ccccc5)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H]3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3):
(αS)-α-[[6-O-[4-O-[(E)-3-[4-(β-D-グルコピラノシルオキシ)フェニル]プロペノイル]-β-D-キシロピラノシル]-β-D-グルコピラノシル]オキシ]ベンゼンアセトニトリル
(3R,4R,5R,6R)-6-{[(2R,3S,4S,5R,6R)-6-[(S)-シアノ(フェニル)メトキシ]-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4,5-ジヒドロキシオキサン-3-イル (2E)-3-(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}フェニル)プロパ-2-エノアート
(3R,4R,5R,6R)-6-{[(2R,3S,4S,5R,6R)-6-[(S)-cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxyoxan-3-yl (2E)-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoate
Other name (3):
(αS)-α-[[6-O-[4-O-[(E)-3-[4-(β-D-Glucopyranosyloxy)phenyl]propenoyl]-β-D-xylopyranosyl]-β-D-glucopyranosyl]oxy]benzeneacetonitrile
Anthemis glycoside B
アンテミスグリコシドB
CAS registry number:
89354-49-4
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