(2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
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(2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Summary
(2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a group of stereoisomers[1].
Key Facts
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's instance of is recorded as group of stereoisomers[2].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's canonical SMILES is recorded as OCC1OC(OC2=C(OC)C=C(C=C2OC)C3OCC4C(OCC34)C5=CC(OC)=C(OC6OC(CO)C(O)C(O)C6O)C(OC)=C5)C(O)C(O)C1O[3].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's InChI is recorded as InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21?,22?,23+,24+,25?,26?,27-,28-,29+,30+,33-,34+/m0/s1[4].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's InChIKey is recorded as FFDULTAFAQRACT-HIGQJXKCSA-N[5].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's chemical formula is recorded as C₃₄H₄₆O₁₈[6].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's subclass of is recorded as chemical compound[7].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's PubChem CID is recorded as 162941458[8].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's found in taxon is recorded as Ruellia tuberosa[9].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's isomeric SMILES is recorded as COc1cc([C@H]2OC[C@@H]3C@@HOC[C@H]23)cc(OC)c1O[C@@H]1OC(CO)C@@HC(O)[C@@H]1O[10].
- (2S,3S,5S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+742.268414632'}[11].