![ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA](/api/spectrum/940S1WbR5es/structure.png?h=300&w=458 "ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA")
| SpectraBase Compound ID | 4iUGRfEjKRW |
|---|---|
| InChI | InChI=1S/C42H54O25/c1-14-27(47)31(51)35(55)39(60-14)59-13-25-30(50)33(53)37(41(64-25)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16)67-42-38(34(54)29(49)24(65-42)12-58-15(2)44)66-40-36(56)32(52)28(48)23(11-43)63-40/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14-,23+,24+,25+,27-,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DEKFLPVFTLGVJM-PQUTYUSJSA-N |
| Mol Weight | 958.9 g/mol |
| Molecular Formula | C42H54O25 |
| Exact Mass | 958.295417 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 940S1WbR5es |
|---|---|
| Name | ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-6-O-ACETYL-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H54O25 |
| InChI | InChI=1S/C42H54O25/c1-14-27(47)31(51)35(55)39(60-14)59-13-25-30(50)33(53)37(41(64-25)61-18-8-19(45)26-20(46)10-21(62-22(26)9-18)16-4-6-17(57-3)7-5-16)67-42-38(34(54)29(49)24(65-42)12-58-15(2)44)66-40-36(56)32(52)28(48)23(11-43)63-40/h4-10,14,23-25,27-43,45,47-56H,11-13H2,1-3H3/t14-,23+,24+,25+,27-,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38+,39+,40-,41+,42-/m1/s1 |
| InChIKey | DEKFLPVFTLGVJM-PQUTYUSJSA-N |
| Literature Reference Author | E.SELENGE,T.MURATA,K.KOBAYASHI,J.BATKHUU,F.YOSHIZAKI |
| Literature Reference Citation | J.NAT.PROD.,76,186(2013) |
| Literature Reference DOI | 10.1021/np300609u |
| Molecular Weight | 958.876 g/mol |
| Sample ID | 42142 |
| Solvent | C5D5N |