| SpectraBase Compound ID | ALi3nib70Zp |
|---|---|
| InChI | InChI=1S/C57H92O30/c1-20(18-77-50-44(73)40(69)37(66)30(14-58)80-50)8-9-57(76-5)21(2)35-29(87-57)11-25-23-7-6-22-10-28(26(62)13-55(22,3)24(23)12-34(64)56(25,35)4)79-52-46(75)42(71)47(33(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)31(15-59)81-53)48(39(68)32(16-60)82-54)85-51-43(72)36(65)27(63)19-78-51/h12,20-23,25-33,35-54,58-63,65-75H,6-11,13-19H2,1-5H3/t20-,21-,22-,23?,25?,26+,27-,28+,29?,30-,31+,32+,33-,35?,36+,37-,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48-,49+,50-,51+,52-,53-,54-,55-,56+,57?/m0/s1 |
| InChIKey | BBXFGYVTUNPLJI-LMZPVJCVSA-N |
| Mol Weight | 1257.3 g/mol |
| Molecular Formula | C57H92O30 |
| Exact Mass | 1256.567342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWHS9QWIDhA |
|---|---|
| Name | (25R)-2-ALPHA,3-BETA-DIHYDROXY-26-BETA-D-GLUCOPYRANOSYLOXY-22-METHOXY-5-ALPHA-FUROST-9-EN-12-ONE-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYL |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O30 |
| InChI | InChI=1S/C57H92O30/c1-20(18-77-50-44(73)40(69)37(66)30(14-58)80-50)8-9-57(76-5)21(2)35-29(87-57)11-25-23-7-6-22-10-28(26(62)13-55(22,3)24(23)12-34(64)56(25,35)4)79-52-46(75)42(71)47(33(17-61)83-52)84-54-49(86-53-45(74)41(70)38(67)31(15-59)81-53)48(39(68)32(16-60)82-54)85-51-43(72)36(65)27(63)19-78-51/h12,20-23,25-33,35-54,58-63,65-75H,6-11,13-19H2,1-5H3/t20-,21-,22-,23?,25?,26+,27-,28+,29?,30-,31+,32+,33-,35?,36+,37-,38+,39+,40+,41-,42-,43-,44-,45+,46-,47+,48-,49+,50-,51+,52-,53-,54-,55-,56+,57?/m0/s1 |
| InChIKey | BBXFGYVTUNPLJI-LMZPVJCVSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,48,1361(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00157-5 |
| Molecular Weight | 1257.339 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1482 |