Spektraris NMR
3alpha,11alpha-Dihydroxylup-20(29)-ene-23,28-dioic acid
Common Name: 3alpha,11alpha-Dihydroxylup-20(29)-ene-23,28-dioic acid
Synonyms: 3alpha,11alpha-Dihydroxylup-20(29)-ene-23,28-dioic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-16(2)17-7-12-30(25(35)36)14-13-27(4)18(22(17)30)15-19(31)23-26(3)10-9-21(32)29(6,24(33)34)20(26)8-11-28(23,27)5/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19+,20+,21+,22+,23+,26-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=VZYJGZZXVOHUMY-DPPLFAKZSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kasai R., Matsumoto K., Taniyasu S., Tanaka O., Kim j.H., Hahn D.R. Chem Pharm Bull (1986) 34, 3284
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 35.4 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 72.8 |
| 4 (C) | 52.8 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 35.9 |
| 8 (C) | 42.9 |
| 9 (CH) | 56.6 |
| 10 (C) | 39.6 |
| 11 (CH) | 69.9 |
| 12 (CH2) | 38.5 |
| 13 (CH) | 37.7 |
| 14 (C) | 43.4 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.6 |
| 18 (CH) | 49.3 |
| 19 (CH) | 47.6 |
| 20 (C) | 150.9 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 37.5 |
| 23 (C) | 179.7 |
| 24 (CH3) | 18.1 |
| 25 (CH3) | 18.3 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 14.8 |
| 28 (C) | 178.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.6 |
