| SpectraBase Compound ID | 4amDgxC0B3d |
|---|---|
| InChI | InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26?,29-,30?,31+,32+,36-,37-,38+/m1/s1 |
| InChIKey | BMRXKURCHPMXTP-SRMSOCRDSA-N |
| Mol Weight | 604.8 g/mol |
| Molecular Formula | C38H52O6 |
| Exact Mass | 604.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ac9F5Z3ZlJP |
|---|---|
| Name | 3-BETA-PARA-HYDROXYBENZOYLDEHYDROTUMULOSIC-ACID |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H52O6 |
| InChI | InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26?,29-,30?,31+,32+,36-,37-,38+/m1/s1 |
| InChIKey | BMRXKURCHPMXTP-SRMSOCRDSA-N |
| Literature Reference Author | K.YASUKAWA,T.KAMINAGA,S.KITANAKA,T.TAI,Y.NUNOURA,S.NATORI,M. TAKIDO |
| Literature Reference Citation | PHYTOCHEM.,48,1357(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01063-7 |
| Molecular Weight | 604.827 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS1473 |