![ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA-D-GLUCOPYRANOSIDE](/api/spectrum/9VwlehihtHm/structure.png?h=300&w=458 "ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | KxoEh1SonO1 |
|---|---|
| InChI | InChI=1S/C40H52O24/c1-13-25(45)29(49)33(53)37(57-13)56-12-23-28(48)32(52)35(64-40-36(31(51)27(47)22(11-42)61-40)63-38-34(54)30(50)26(46)21(10-41)60-38)39(62-23)58-16-7-17(43)24-18(44)9-19(59-20(24)8-16)14-3-5-15(55-2)6-4-14/h3-9,13,21-23,25-43,45-54H,10-12H2,1-2H3/t13-,21+,22+,23+,25-,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | CHKISICUUFEQQP-WCKBVOABSA-N |
| Mol Weight | 916.8 g/mol |
| Molecular Formula | C40H52O24 |
| Exact Mass | 916.284853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9VwlehihtHm |
|---|---|
| Name | ACACETIN-7-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]--BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52O24 |
| InChI | InChI=1S/C40H52O24/c1-13-25(45)29(49)33(53)37(57-13)56-12-23-28(48)32(52)35(64-40-36(31(51)27(47)22(11-42)61-40)63-38-34(54)30(50)26(46)21(10-41)60-38)39(62-23)58-16-7-17(43)24-18(44)9-19(59-20(24)8-16)14-3-5-15(55-2)6-4-14/h3-9,13,21-23,25-43,45-54H,10-12H2,1-2H3/t13-,21+,22+,23+,25-,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,36+,37+,38-,39+,40-/m0/s1 |
| InChIKey | CHKISICUUFEQQP-WCKBVOABSA-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 | 916.838 g/mol |
| Sample ID | 42139 |
| Solvent | DMSO-D6 |