| SpectraBase Compound ID | BgpCna6yU2x |
|---|---|
| InChI | InChI=1S/C31H38O12/c1-14(32)41-21(25(36)39-7)22-28(3,4)27(42-15(2)33)31(38)12-17-18(30(22,6)26(31)37)8-10-29(5)19(17)20(34)24(35)43-23(29)16-9-11-40-13-16/h9,11,13,18,20-23,27,34,38H,8,10,12H2,1-7H3/t18-,20+,21-,22-,23-,27-,29+,30+,31-/m0/s1 |
| InChIKey | CZYHITKQTHQTTO-QFPUXIKKSA-N |
| Mol Weight | 602.6 g/mol |
| Molecular Formula | C31H38O12 |
| Exact Mass | 602.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A1pyOtdCjWm |
|---|---|
| Name | KHAYALENOID_G |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O12 |
| InChI | InChI=1S/C31H38O12/c1-14(32)41-21(25(36)39-7)22-28(3,4)27(42-15(2)33)31(38)12-17-18(30(22,6)26(31)37)8-10-29(5)19(17)20(34)24(35)43-23(29)16-9-11-40-13-16/h9,11,13,18,20-23,27,34,38H,8,10,12H2,1-7H3/t18-,20+,21-,22-,23-,27-,29+,30+,31-/m0/s1 |
| InChIKey | CZYHITKQTHQTTO-QFPUXIKKSA-N |
| Literature Reference Author | T.YUAN,C.R.ZHANG,S.P.YANG,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,73,669(2010) |
| Literature Reference DOI | 10.1021/np1000158 |
| Molecular Weight | 602.636 g/mol |
| Sample ID | 35313 |
| Solvent | CDCl3 |