![#2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A](/api/spectrum/3uqUyDxFXP1/structure.png?h=300&w=458 "#2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A")
| SpectraBase Compound ID | BVqPeHEBIx5 |
|---|---|
| InChI | InChI=1S/C61H94O28/c1-24-44(85-51-42(73)45(83-26(3)63)31(23-80-51)82-25(2)62)46(86-50-40(71)36(67)29(64)21-78-50)43(74)53(81-24)88-48-37(68)30(65)22-79-54(48)89-55(77)61-18-17-56(4,5)19-28(61)27-11-12-33-58(8)15-14-35(84-52-41(72)38(69)39(70)47(87-52)49(75)76)57(6,7)32(58)13-16-59(33,9)60(27,10)20-34(61)66/h11,24,28-48,50-54,64-74H,12-23H2,1-10H3,(H,75,76)/t24-,28-,29+,30-,31+,32-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,50-,51-,52+,53-,54-,58-,59+,60+,61+/m0/s1 |
| InChIKey | FCQRZNZKSSIASI-VPBSOJAUSA-N |
| Mol Weight | 1275.4 g/mol |
| Molecular Formula | C61H94O28 |
| Exact Mass | 1274.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uqUyDxFXP1 |
|---|---|
| Name | #2;3-O-BETA-D-GLUCURONOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-[3,4-DIACETYL-BETA-D-XYLOPYRANOSYL-(1->4)]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94O28 |
| InChI | InChI=1S/C61H94O28/c1-24-44(85-51-42(73)45(83-26(3)63)31(23-80-51)82-25(2)62)46(86-50-40(71)36(67)29(64)21-78-50)43(74)53(81-24)88-48-37(68)30(65)22-79-54(48)89-55(77)61-18-17-56(4,5)19-28(61)27-11-12-33-58(8)15-14-35(84-52-41(72)38(69)39(70)47(87-52)49(75)76)57(6,7)32(58)13-16-59(33,9)60(27,10)20-34(61)66/h11,24,28-48,50-54,64-74H,12-23H2,1-10H3,(H,75,76)/t24-,28-,29+,30-,31+,32-,33+,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48+,50-,51-,52+,53-,54-,58-,59+,60+,61+/m0/s1 |
| InChIKey | FCQRZNZKSSIASI-VPBSOJAUSA-N |
| Literature Reference Author | T.MURATA,M.NAKANO,T.MIYASE,F.YOSHIZAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,608(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00123 |
| Molecular Weight | 1275.401 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT13906 |