| SpectraBase Compound ID | JSKViyGbANI |
|---|---|
| InChI | InChI=1S/C29H32O16/c1-29(39,9-17(32)33)10-18(34)42-11-16-20(35)22(37)23(38)28(44-16)45-27-25(40-2)21(36)19-14(31)8-15(43-24(19)26(27)41-3)12-4-6-13(30)7-5-12/h4-8,16,20,22-23,28,30,35-39H,9-11H2,1-3H3,(H,32,33)/t16-,20-,22+,23-,28+,29?/m0/s1 |
| InChIKey | KUBRQWGDWMRDKB-CTKFTJIKSA-N |
| Mol Weight | 636.6 g/mol |
| Molecular Formula | C29H32O16 |
| Exact Mass | 636.169035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3A8qHrGVVRv |
|---|---|
| Name | 3'-DEMETHOXYSUDACHIIN_C |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32O16 |
| InChI | InChI=1S/C29H32O16/c1-29(39,9-17(32)33)10-18(34)42-11-16-20(35)22(37)23(38)28(44-16)45-27-25(40-2)21(36)19-14(31)8-15(43-24(19)26(27)41-3)12-4-6-13(30)7-5-12/h4-8,16,20,22-23,28,30,35-39H,9-11H2,1-3H3,(H,32,33)/t16-,20-,22+,23-,28+,29?/m0/s1 |
| InChIKey | KUBRQWGDWMRDKB-CTKFTJIKSA-N |
| Literature Reference Author | H.NAKAGAWA,Y.TAKAISHI,N.TANAKA,K.TSUCHIYA,H.SHIBATA,T.HIGUTI |
| Literature Reference Citation | J.NAT.PROD.,69,1177(2006) |
| Literature Reference DOI | 10.1021/np060217s |
| Molecular Weight | 636.563 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ15568 |