| SpectraBase Compound ID | 4XSDaMV97XB |
|---|---|
| InChI | InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22?,25-,26?,27+,28+,31-,32-,33+/m1/s1 |
| InChIKey | RWIALJIVPUCERT-POKQDSEBSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C33H50O5 |
| Exact Mass | 526.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BeqA4tk4l68 |
|---|---|
| Name | DEHYDROPACHYMIC-ACID |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O5 |
| InChI | InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22?,25-,26?,27+,28+,31-,32-,33+/m1/s1 |
| InChIKey | RWIALJIVPUCERT-POKQDSEBSA-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 | 526.757 g/mol |
| Solvent | Unknown |
| Source File Reference | UWMS1472 |