![ALLIOGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE]](/api/spectrum/BrNhQmHFS8p/structure.png?h=300&w=458 "ALLIOGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE]")
| SpectraBase Compound ID | D6seOSnbV8L |
|---|---|
| InChI | InChI=1S/C50H82O25/c1-18-5-8-50(67-16-18)19(2)31-25(75-50)10-22-20-9-30(56)49(65)12-26(23(54)11-48(49,4)21(20)6-7-47(22,31)3)68-44-39(64)36(61)40(29(15-53)71-44)72-46-42(74-45-38(63)35(60)33(58)27(13-51)69-45)41(34(59)28(14-52)70-46)73-43-37(62)32(57)24(55)17-66-43/h18-46,51-65H,5-17H2,1-4H3/t18-,19+,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48-,49+,50+/m1/s1 |
| InChIKey | KCCADWFDKXISPG-PHWQQXMMSA-N |
| Mol Weight | 1083.2 g/mol |
| Molecular Formula | C50H82O25 |
| Exact Mass | 1082.514518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BrNhQmHFS8p |
|---|---|
| Name | ALLIOGENIN-3-O-[BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE] |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H82O25 |
| InChI | InChI=1S/C50H82O25/c1-18-5-8-50(67-16-18)19(2)31-25(75-50)10-22-20-9-30(56)49(65)12-26(23(54)11-48(49,4)21(20)6-7-47(22,31)3)68-44-39(64)36(61)40(29(15-53)71-44)72-46-42(74-45-38(63)35(60)33(58)27(13-51)69-45)41(34(59)28(14-52)70-46)73-43-37(62)32(57)24(55)17-66-43/h18-46,51-65H,5-17H2,1-4H3/t18-,19+,20-,21+,22+,23-,24+,25+,26-,27-,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41+,42-,43-,44+,45+,46+,47+,48-,49+,50+/m1/s1 |
| InChIKey | KCCADWFDKXISPG-PHWQQXMMSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,T.FUKASAWA,Y.SASHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,738(1999) |
| Literature Reference DOI | 10.1248/cpb.47.738 |
| Molecular Weight | 1083.186 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8029 |