![#2;BATATOSIDE-IV;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-(S)-2-METHYLBUTYRYL]-(1->2)-ALPHA-L-RHAMNOPY](/api/spectrum/71SfBef5PhB/structure.png?h=300&w=458 "#2;BATATOSIDE-IV;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-(S)-2-METHYLBUTYRYL]-(1->2)-ALPHA-L-RHAMNOPY")
| SpectraBase Compound ID | 93W9EwHpUq5 |
|---|---|
| InChI | InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3/t23-,24+,25+,26-,27+,28+,29+,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,47+,48+,49+,50+,51+/m1/s1 |
| InChIKey | JFUPYRTZBHJNLX-CFIMMKOOSA-N |
| Mol Weight | 1069.2 g/mol |
| Molecular Formula | C51H88O23 |
| Exact Mass | 1068.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71SfBef5PhB |
|---|---|
| Name | #2;BATATOSIDE-IV;(S)-JALAPINOLIC-ACID-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-O-[2-O-(S)-2-METHYLBUTYRYL]-(1->2)-ALPHA-L-RHAMNOPY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H88O23 |
| InChI | InChI=1S/C51H88O23/c1-9-11-17-20-29-21-18-15-13-12-14-16-19-22-30(52)69-43-39(61)40(27(7)66-50(43)73-42-36(58)33(55)26(6)65-49(42)68-29)71-51-45(70-46(62)23(3)10-2)44(74-48-38(60)35(57)32(54)25(5)64-48)41(28(8)67-51)72-47-37(59)34(56)31(53)24(4)63-47/h23-29,31-45,47-51,53-61H,9-22H2,1-8H3/t23-,24+,25+,26-,27+,28+,29+,31+,32+,33+,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45-,47+,48+,49+,50+,51+/m1/s1 |
| InChIKey | JFUPYRTZBHJNLX-CFIMMKOOSA-N |
| Literature Reference Author | Y.Q.YIN,X.F.HUANG,L.Y.KONG,M.NIWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1670(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1670 |
| Molecular Weight | 1069.246 g/mol |
| Sample ID | 2465 |
| Solvent | C5D5N |