| SpectraBase Compound ID | DQ3CKmWTGkU |
|---|---|
| InChI | InChI=1S/C58H94O27/c1-22-33(65)36(68)39(71)48(78-22)82-44-28(63)20-76-47(42(44)74)81-43-23(2)79-49(41(73)38(43)70)83-45-34(66)27(62)19-77-51(45)85-52(75)58-14-13-53(3,4)15-25(58)24-9-10-31-54(5)16-26(61)46(84-50-40(72)37(69)35(67)29(18-59)80-50)55(6,21-60)30(54)11-12-56(31,7)57(24,8)17-32(58)64/h9,22-23,25-51,59-74H,10-21H2,1-8H3/t22-,23+,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+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | HNIWIDMUMXYNCL-CVCRKDKVSA-N |
| Mol Weight | 1223.4 g/mol |
| Molecular Formula | C58H94O27 |
| Exact Mass | 1222.598248 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GAKz0ZeigC |
|---|---|
| Name | DURANTANIN-III;POLYGALACIC-ACID-3-O-BETA-D-GLUCOPYRANOSIDO-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-ALPHA-L-RHAMNOPYRANOSYL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H94O27 |
| InChI | InChI=1S/C58H94O27/c1-22-33(65)36(68)39(71)48(78-22)82-44-28(63)20-76-47(42(44)74)81-43-23(2)79-49(41(73)38(43)70)83-45-34(66)27(62)19-77-51(45)85-52(75)58-14-13-53(3,4)15-25(58)24-9-10-31-54(5)16-26(61)46(84-50-40(72)37(69)35(67)29(18-59)80-50)55(6,21-60)30(54)11-12-56(31,7)57(24,8)17-32(58)64/h9,22-23,25-51,59-74H,10-21H2,1-8H3/t22-,23+,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+,51+,54+,55+,56-,57-,58-/m1/s1 |
| InChIKey | HNIWIDMUMXYNCL-CVCRKDKVSA-N |
| Literature Reference Author | S.HIRADATE,H.YADA,T.ISHII,N.NAKAJIMA,M.OHNISHI-KAMEYAMA,H.SU GIE,S.ZUNGSONTIPORN, |
| Literature Reference Citation | PHYTOCHEM.,52,1223(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00408-2 |
| Molecular Weight | 1223.368 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN408 |