| SpectraBase Compound ID | 8r5PZtZVLa |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JTBGJQZJEYVBJZ-SXKKXCELSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXnMUm5OfCu |
|---|---|
| Name | TRIPTOCALLIC-ACID-D;3-ALPHA,22-ALPHA-DIHYDROXY-OLEAN-12-EN-29-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22+,23-,26-,27+,28-,29+,30+/m0/s1 |
| InChIKey | JTBGJQZJEYVBJZ-SXKKXCELSA-N |
| Literature Reference Author | K.NAKANO,Y.OOSE,Y.TAKAISHI |
| Literature Reference Citation | PHYTOCHEM.,46,1179(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)80007-6 |
| Molecular Weight | 472.709 g/mol |
| Sample ID | 65399 |
| Solvent | CDCl3:CD3OD |