![9-[(BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL)-OXY]-METHYL-8,11-DIHYDRO-5,9-DIHYDROXY-2-METHYL-4H-PYRANO-[2,3-G]-[1]-BENZOXEPIN-4-ONE](/api/spectrum/Ds33DAZcJe2/structure.png?h=300&w=458 "9-[(BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL)-OXY]-METHYL-8,11-DIHYDRO-5,9-DIHYDROXY-2-METHYL-4H-PYRANO-[2,3-G]-[1]-BENZOXEPIN-4-ONE")
| SpectraBase Compound ID | 6iO3vu9Cy1v |
|---|---|
| InChI | InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27?/m0/s1 |
| InChIKey | JOBWUMLSLUCCJM-FJOYJQSASA-N |
| Mol Weight | 614.6 g/mol |
| Molecular Formula | C27H34O16 |
| Exact Mass | 614.184685 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ds33DAZcJe2 |
|---|---|
| Name | 9-[(BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL)-OXY]-METHYL-8,11-DIHYDRO-5,9-DIHYDROXY-2-METHYL-4H-PYRANO-[2,3-G]-[1]-BENZOXEPIN-4-ONE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34O16 |
| InChI | InChI=1S/C27H34O16/c1-10-4-12(29)17-13(30)5-14-11(24(17)41-10)2-3-27(37,8-39-14)9-40-26-23(36)21(34)19(32)16(43-26)7-38-25-22(35)20(33)18(31)15(6-28)42-25/h2-5,15-16,18-23,25-26,28,30-37H,6-9H2,1H3/t15-,16-,18-,19-,20+,21+,22-,23-,25-,26-,27?/m0/s1 |
| InChIKey | JOBWUMLSLUCCJM-FJOYJQSASA-N |
| Literature Reference Author | M.KURODA,S.UCHIDA,K.WATANABE,Y.MIMAKI |
| Literature Reference Citation | PHYTOCHEM.,70,288(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.12.002 |
| Molecular Weight | 614.557 g/mol |
| Sample ID | 64530 |
| Solvent | DMSO-D6 |