![9,11-DEHYDROMANOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL](/api/spectrum/HQBpOlSGspx/structure.png?h=300&w=458 "9,11-DEHYDROMANOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL")
| SpectraBase Compound ID | 6k2cTowA6qF |
|---|---|
| InChI | InChI=1S/C56H88O28/c1-19-8-9-56(74-17-19)20(2)34-28(84-56)11-25-23-7-6-22-10-27(26(60)13-54(22,4)24(23)12-33(61)55(25,34)5)76-51-45(72)41(68)46(31(16-59)79-51)81-53-48(83-52-44(71)40(67)36(63)29(14-57)77-52)47(38(65)30(15-58)78-53)82-49-42(69)37(64)32(18-73-49)80-50-43(70)39(66)35(62)21(3)75-50/h12,19-23,25-32,34-53,57-60,62-72H,6-11,13-18H2,1-5H3/t19-,20-,21+,22?,23?,25-,26+,27+,28?,29+,30+,31-,32-,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | VTYCBAIGXLHNLQ-SUQHKOMBSA-N |
| Mol Weight | 1209.3 g/mol |
| Molecular Formula | C56H88O28 |
| Exact Mass | 1208.546212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HQBpOlSGspx |
|---|---|
| Name | 9,11-DEHYDROMANOGENIN-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H88O28 |
| InChI | InChI=1S/C56H88O28/c1-19-8-9-56(74-17-19)20(2)34-28(84-56)11-25-23-7-6-22-10-27(26(60)13-54(22,4)24(23)12-33(61)55(25,34)5)76-51-45(72)41(68)46(31(16-59)79-51)81-53-48(83-52-44(71)40(67)36(63)29(14-57)77-52)47(38(65)30(15-58)78-53)82-49-42(69)37(64)32(18-73-49)80-50-43(70)39(66)35(62)21(3)75-50/h12,19-23,25-32,34-53,57-60,62-72H,6-11,13-18H2,1-5H3/t19-,20-,21+,22?,23?,25-,26+,27+,28?,29+,30+,31-,32-,34?,35+,36+,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50+,51-,52-,53-,54-,55+,56+/m0/s1 |
| InChIKey | VTYCBAIGXLHNLQ-SUQHKOMBSA-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 | 1209.298 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1480 |