![#4;MYRSEGUINOSIDE-D;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-16-ALPHA,22-BE](/api/spectrum/AplQeCzHvWL/structure.png?h=300&w=458 "#4;MYRSEGUINOSIDE-D;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-16-ALPHA,22-BE")
| SpectraBase Compound ID | 9mdRBVU0Zhj |
|---|---|
| InChI | InChI=1S/C53H84O23/c1-21-32(58)36(62)39(65)43(69-21)76-42-38(64)34(60)25(18-55)71-46(42)72-26-19-68-45(41(35(26)61)75-44-40(66)37(63)33(59)24(17-54)70-44)73-30-11-12-50(5)27(48(30,2)3)10-13-51(6)28(50)9-8-22-23-14-49(4)16-31(74-47(49)67)53(23,20-56)29(57)15-52(22,51)7/h8,21,23-46,54-66H,9-20H2,1-7H3/t21-,23-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49+,50-,51+,52+,53-/m0/s1 |
| InChIKey | OXZUXBFKMKJPEG-YKHJDTGFSA-N |
| Mol Weight | 1089.2 g/mol |
| Molecular Formula | C53H84O23 |
| Exact Mass | 1088.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AplQeCzHvWL |
|---|---|
| Name | #4;MYRSEGUINOSIDE-D;3-BETA-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)]-ALPHA-L-ARABINOPYRANOSYL-16-ALPHA,22-BE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H84O23 |
| InChI | InChI=1S/C53H84O23/c1-21-32(58)36(62)39(65)43(69-21)76-42-38(64)34(60)25(18-55)71-46(42)72-26-19-68-45(41(35(26)61)75-44-40(66)37(63)33(59)24(17-54)70-44)73-30-11-12-50(5)27(48(30,2)3)10-13-51(6)28(50)9-8-22-23-14-49(4)16-31(74-47(49)67)53(23,20-56)29(57)15-52(22,51)7/h8,21,23-46,54-66H,9-20H2,1-7H3/t21-,23-,24+,25+,26-,27-,28+,29+,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,49+,50-,51+,52+,53-/m0/s1 |
| InChIKey | OXZUXBFKMKJPEG-YKHJDTGFSA-N |
| Literature Reference Author | K.MATSUNAMI,H.OTSUKA,Y.TAKEDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1274(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1274 |
| Molecular Weight | 1089.236 g/mol |
| Source File Reference | UWIR3647 |