![SYMPLOCOSOSIDE-B;#2;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[-ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2E)-3,7-DIM](/api/spectrum/6tVElNgt2lR/structure.png?h=300&w=458 "SYMPLOCOSOSIDE-B;#2;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[-ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2E)-3,7-DIM")
| SpectraBase Compound ID | 1Dqqq0jwvyC |
|---|---|
| InChI | InChI=1S/C63H100O23/c1-14-31(5)53(76)86-52-51(82-39(67)24-30(4)17-15-16-29(2)3)58(6,7)25-33-32-18-19-37-60(10)22-21-38(59(8,9)36(60)20-23-61(37,11)62(32,12)49(74)50(75)63(33,52)28-66)81-57-47(84-56-44(72)42(70)40(68)34(26-64)79-56)45(73)46(48(85-57)54(77)78-13)83-55-43(71)41(69)35(27-65)80-55/h16,18,24,31,33-38,40-52,55-57,64-66,68-75H,14-15,17,19-23,25-28H2,1-13H3/b30-24+/t31?,33-,34+,35+,36?,37+,38-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,55+,56-,57+,60-,61+,62-,63-/m0/s1 |
| InChIKey | UIXOAAHDLBYLIC-XUFNSASWSA-N |
| Mol Weight | 1225.5 g/mol |
| Molecular Formula | C63H100O23 |
| Exact Mass | 1224.665539 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6tVElNgt2lR |
|---|---|
| Name | SYMPLOCOSOSIDE-B;#2;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[-ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_METHYLESTER]-21-BETA-O-[(2E)-3,7-DIM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H100O23 |
| InChI | InChI=1S/C63H100O23/c1-14-31(5)53(76)86-52-51(82-39(67)24-30(4)17-15-16-29(2)3)58(6,7)25-33-32-18-19-37-60(10)22-21-38(59(8,9)36(60)20-23-61(37,11)62(32,12)49(74)50(75)63(33,52)28-66)81-57-47(84-56-44(72)42(70)40(68)34(26-64)79-56)45(73)46(48(85-57)54(77)78-13)83-55-43(71)41(69)35(27-65)80-55/h16,18,24,31,33-38,40-52,55-57,64-66,68-75H,14-15,17,19-23,25-28H2,1-13H3/b30-24+/t31?,33-,34+,35+,36?,37+,38-,40+,41+,42-,43-,44+,45-,46-,47+,48-,49-,50+,51-,52-,55+,56-,57+,60-,61+,62-,63-/m0/s1 |
| InChIKey | UIXOAAHDLBYLIC-XUFNSASWSA-N |
| Literature Reference Author | M.TANG,D.SHEN,Y.HU,S.GAO,S.YU |
| Literature Reference Citation | J.NAT.PROD.,67,1969(2004) |
| Literature Reference DOI | 10.1021/np040013g |
| Molecular Weight | 1225.473 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ10409 |