![#1A;ENTAGENIC-ACID-MONODESMOSIDE;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMI](/api/spectrum/FHyGZRrznOY/structure.png?h=300&w=458 "#1A;ENTAGENIC-ACID-MONODESMOSIDE;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMI")
| SpectraBase Compound ID | F9UlD1LRWIF |
|---|---|
| InChI | InChI=1S/C54H87NO23/c1-22(57)55-32-40(77-45-37(64)33(60)25(58)19-71-45)36(63)28(21-73-47-39(66)41(35(62)27(18-56)74-47)78-46-38(65)34(61)26(59)20-72-46)75-44(32)76-31-12-13-51(6)29(50(31,4)5)11-14-52(7)30(51)10-9-23-24-17-49(2,3)15-16-54(24,48(69)70)43(68)42(67)53(23,52)8/h9,24-47,56,58-68H,10-21H2,1-8H3,(H,55,57)(H,69,70)/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43+,44-,45-,46-,47+,51-,52+,53-,54+/m0/s1 |
| InChIKey | KYNGQJKVCFCZEJ-JKTRSBQZSA-N |
| Mol Weight | 1118.3 g/mol |
| Molecular Formula | C54H87NO23 |
| Exact Mass | 1117.566888 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FHyGZRrznOY |
|---|---|
| Name | #1A;ENTAGENIC-ACID-MONODESMOSIDE;ENTAGENIC-ACID-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->6)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-2-ACETYLAMI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H87NO23 |
| InChI | InChI=1S/C54H87NO23/c1-22(57)55-32-40(77-45-37(64)33(60)25(58)19-71-45)36(63)28(21-73-47-39(66)41(35(62)27(18-56)74-47)78-46-38(65)34(61)26(59)20-72-46)75-44(32)76-31-12-13-51(6)29(50(31,4)5)11-14-52(7)30(51)10-9-23-24-17-49(2,3)15-16-54(24,48(69)70)43(68)42(67)53(23,52)8/h9,24-47,56,58-68H,10-21H2,1-8H3,(H,55,57)(H,69,70)/t24-,25+,26+,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39+,40+,41-,42-,43+,44-,45-,46-,47+,51-,52+,53-,54+/m0/s1 |
| InChIKey | KYNGQJKVCFCZEJ-JKTRSBQZSA-N |
| Literature Reference Author | S.SUGIMOTO,K.MATSUNAMI,H.OTSUKA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,466(2011) |
| Literature Reference DOI | 10.1248/cpb.59.466 |
| Molecular Weight | 1118.278 g/mol |
| Source File Reference | UWIR3120 |