![GUAIACIN-E;#3;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-30-NOROLEAN-12,20(29)-DIEN-28-O-[BETA-D-GLUCOPYRANOSYL]-](/api/spectrum/2uinQf5HUrG/structure.png?h=300&w=458 "GUAIACIN-E;#3;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-30-NOROLEAN-12,20(29)-DIEN-28-O-[BETA-D-GLUCOPYRANOSYL]-")
| SpectraBase Compound ID | 7jkYT8Kfrc7 |
|---|---|
| InChI | InChI=1S/C52H82O22/c1-22-9-14-52(47(66)74-45-40(65)37(62)34(59)28(20-55)70-45)16-15-50(5)23(24(52)17-22)7-8-30-49(4)12-11-31(48(2,3)29(49)10-13-51(30,50)6)71-46-42(73-44-39(64)36(61)33(58)27(19-54)69-44)41(25(56)21-67-46)72-43-38(63)35(60)32(57)26(18-53)68-43/h7,24-46,53-65H,1,8-21H2,2-6H3/t24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | YCXNVZPKPBELRA-MPQLMCEPSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C52H82O22 |
| Exact Mass | 1058.529774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uinQf5HUrG |
|---|---|
| Name | GUAIACIN-E;#3;3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(3->1)-BETA-D-GLUCOPYRANOSYL]-30-NOROLEAN-12,20(29)-DIEN-28-O-[BETA-D-GLUCOPYRANOSYL]- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O22 |
| InChI | InChI=1S/C52H82O22/c1-22-9-14-52(47(66)74-45-40(65)37(62)34(59)28(20-55)70-45)16-15-50(5)23(24(52)17-22)7-8-30-49(4)12-11-31(48(2,3)29(49)10-13-51(30,50)6)71-46-42(73-44-39(64)36(61)33(58)27(19-54)69-44)41(25(56)21-67-46)72-43-38(63)35(60)32(57)26(18-53)68-43/h7,24-46,53-65H,1,8-21H2,2-6H3/t24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46+,49-,50+,51+,52-/m0/s1 |
| InChIKey | YCXNVZPKPBELRA-MPQLMCEPSA-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 | 1059.210 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWKP6812 |