![PROSAPOGENIN-1A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID](/api/spectrum/CDs7uIm6AAE/structure.png?h=300&w=458 "PROSAPOGENIN-1A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID")
| SpectraBase Compound ID | 5oXeHeAU801 |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-35(66-39-32(56)30(54)29(53)23(17-48)63-39)33(57)34(36(67-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)/t21-,22-,23+,24?,25?,26+,27-,28+,29-,30-,31-,32+,33-,34-,35+,36-,38+,39-,40+,43-,44-,45+,46+,47+/m0/s1 |
| InChIKey | CYTUIGOIAOIWHK-VXBDNAQLSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDs7uIm6AAE |
|---|---|
| Name | PROSAPOGENIN-1A;3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-QUILLAIC-ACID |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-42(2)13-14-47(41(60)61)21(15-42)20-7-8-25-43(3)11-10-27(44(4,19-49)24(43)9-12-45(25,5)46(20,6)16-26(47)51)64-40-35(66-39-32(56)30(54)29(53)23(17-48)63-39)33(57)34(36(67-40)37(58)59)65-38-31(55)28(52)22(50)18-62-38/h7,19,21-36,38-40,48,50-57H,8-18H2,1-6H3,(H,58,59)(H,60,61)/t21-,22-,23+,24?,25?,26+,27-,28+,29-,30-,31-,32+,33-,34-,35+,36-,38+,39-,40+,43-,44-,45+,46+,47+/m0/s1 |
| InChIKey | CYTUIGOIAOIWHK-VXBDNAQLSA-N |
| Literature Reference Author | Z.JIA,K.KOIKE,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,61,1368(1998) |
| Literature Reference DOI | 10.1021/np980167u |
| Molecular Weight | 957.077 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWCS20440 |