Spektraris NMR
3a,24-Dihydroxyolean-12-en-28,30-dioic acid
Common Name: 3a,24-Dihydroxyolean-12-en-28,30-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-25(23(33)34)12-14-30(24(35)36)15-13-28(4)18(19(30)16-25)6-7-21-26(2)10-9-22(32)27(3,17-31)20(26)8-11-29(21,28)5/h6,19-22,31-32H,7-17H2,1-5H3,(H,33,34)(H,35,36)/t19-,20+,21+,22+,25-,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=CLXOLTFMHAXJST-MUGPYEOZSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miranda R.P., Delgado G., Vivar A.R. J Nat Prod (1986) 49, 225
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 33.2 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 70.6 |
| 4 (C) | 42.7 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40 |
| 9 (CH) | 47.1 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.4 |
| 13 (C) | 143.8 |
| 14 (C) | 41.2 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 23.2 |
| 17 (C) | 45.9 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 41.3 |
| 20 (C) | 43.9 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 33.6 |
| 23 (CH3) | 21.7 |
| 24 (CH2) | 66.5 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 25.4 |
| 28 (C) | 178.8 |
| 29 (CH3) | 27.9 |
| 30 (C) | 176.5 |
