| SpectraBase Compound ID | 1plJGY9KvQC |
|---|---|
| InChI | InChI=1S/C63H102O31/c1-24-35(71)38(74)40(76)51(86-24)90-45-30(69)20-83-50(42(45)78)89-44-25(2)87-53(43(79)46(44)91-55-48(80)62(82,22-66)23-85-55)92-47-36(72)29(68)19-84-54(47)94-56(81)63-14-13-57(3,4)15-27(63)26-9-10-33-58(5)16-28(67)49(93-52-41(77)39(75)37(73)31(18-64)88-52)59(6,21-65)32(58)11-12-60(33,7)61(26,8)17-34(63)70/h9,24-25,27-55,64-80,82H,10-23H2,1-8H3/t24-,25-,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-,52-,53-,54-,55-,58-,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | XUBXDZPIGMEKOP-AHUWRVKHSA-N |
| Mol Weight | 1355.5 g/mol |
| Molecular Formula | C63H102O31 |
| Exact Mass | 1354.640506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59VEUJLL4HY |
|---|---|
| Name | DURANTANIN-II;POLYGALACIC-ACID-3-O-BETA-D-GLUCOPYRANOSIDO-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[BETA-D-APIOFURANOSYL-(1 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H102O31 |
| InChI | InChI=1S/C63H102O31/c1-24-35(71)38(74)40(76)51(86-24)90-45-30(69)20-83-50(42(45)78)89-44-25(2)87-53(43(79)46(44)91-55-48(80)62(82,22-66)23-85-55)92-47-36(72)29(68)19-84-54(47)94-56(81)63-14-13-57(3,4)15-27(63)26-9-10-33-58(5)16-28(67)49(93-52-41(77)39(75)37(73)31(18-64)88-52)59(6,21-65)32(58)11-12-60(33,7)61(26,8)17-34(63)70/h9,24-25,27-55,64-80,82H,10-23H2,1-8H3/t24-,25-,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-,52-,53-,54-,55-,58-,59-,60+,61+,62+,63+/m0/s1 |
| InChIKey | XUBXDZPIGMEKOP-AHUWRVKHSA-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 | 1355.484 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN407 |