![SYMPLOCOSOSIDE-E;#5;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-CINNAM](/api/spectrum/4QHFTIyMDMJ/structure.png?h=300&w=458 "SYMPLOCOSOSIDE-E;#5;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-CINNAM")
| SpectraBase Compound ID | E8EoxC6aXJT |
|---|---|
| InChI | InChI=1S/C65H98O23/c1-11-13-27-80-56(79)50-48(85-57-45(73)43(71)37(30-67)82-57)47(75)49(86-58-46(74)44(72)42(70)36(29-66)81-58)59(87-50)83-40-24-25-62(8)38(61(40,6)7)23-26-63(9)39(62)21-20-34-35-28-60(4,5)53(84-41(69)22-19-33-17-15-14-16-18-33)54(88-55(78)32(3)12-2)65(35,31-68)52(77)51(76)64(34,63)10/h14-20,22,32,35-40,42-54,57-59,66-68,70-77H,11-13,21,23-31H2,1-10H3/b22-19+/t32?,35-,36+,37+,38?,39+,40-,42+,43+,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,57+,58-,59+,62-,63+,64-,65-/m0/s1 |
| InChIKey | BHCRZMBVGQMTHN-HMNZLNOOSA-N |
| Mol Weight | 1247.5 g/mol |
| Molecular Formula | C65H98O23 |
| Exact Mass | 1246.649889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QHFTIyMDMJ |
|---|---|
| Name | SYMPLOCOSOSIDE-E;#5;3-BETA-O-[[BETA-D-GLUCOPYRANOSYL-(1->2)]-[ALPHA-L-ARABINOFURANOSYL-(1->4)]-BETA-D-GLUCURONOPYRANOSIDE_BUTYLESTER]-21-BETA-O-CINNAM |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H98O23 |
| InChI | InChI=1S/C65H98O23/c1-11-13-27-80-56(79)50-48(85-57-45(73)43(71)37(30-67)82-57)47(75)49(86-58-46(74)44(72)42(70)36(29-66)81-58)59(87-50)83-40-24-25-62(8)38(61(40,6)7)23-26-63(9)39(62)21-20-34-35-28-60(4,5)53(84-41(69)22-19-33-17-15-14-16-18-33)54(88-55(78)32(3)12-2)65(35,31-68)52(77)51(76)64(34,63)10/h14-20,22,32,35-40,42-54,57-59,66-68,70-77H,11-13,21,23-31H2,1-10H3/b22-19+/t32?,35-,36+,37+,38?,39+,40-,42+,43+,44-,45-,46+,47-,48-,49+,50-,51-,52+,53-,54-,57+,58-,59+,62-,63+,64-,65-/m0/s1 |
| InChIKey | BHCRZMBVGQMTHN-HMNZLNOOSA-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 | 1247.479 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ10412 |