![GUAIACIN-F;#4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER](/api/spectrum/A59UNetJAmC/structure.png?h=300&w=458 "GUAIACIN-F;#4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER")
| SpectraBase Compound ID | 3HdOmY3DVdi |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)28(21-56)71-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-44-39(65)36(62)33(59)27(20-55)70-44)41(25(57)22-68-46)73-43-38(64)35(61)32(58)26(19-54)69-43/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | FSZGVSDOMLHPLI-WOEBCQLISA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A59UNetJAmC |
|---|---|
| Name | GUAIACIN-F;#4;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-OLEANOLIC-ACID-28-O-[BETA-D-GLUCOPYRANOSYL]-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-45-40(66)37(63)34(60)28(21-56)71-45)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)72-46-42(74-44-39(65)36(62)33(59)27(20-55)70-44)41(25(57)22-68-46)73-43-38(64)35(61)32(58)26(19-54)69-43/h8,24-46,54-66H,9-22H2,1-7H3/t24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | FSZGVSDOMLHPLI-WOEBCQLISA-N |
| Literature Reference Author | V.U.AHMAD,S.PERVEEN,S.BANO |
| Literature Reference Citation | PHYTOCHEM.,29,3287(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80201-Q |
| Molecular Weight | 1075.253 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP6813 |