Spektraris NMR
3-Oxo-6alpha-hydroxylupa-20(30)-ene-28-oic acid
Common Name: 3-Oxo-6alpha-hydroxylupa-20(30)-ene-28-oic acid
Synonyms: 3-Oxo-6alpha-hydroxylupa-20(30)-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-21-27(5)12-11-22(32)26(3,4)24(27)20(31)16-29(21,28)7/h18-21,23-24,31H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20-,21+,23+,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=FIADIPXEFYWJQV-OWZHSNCSSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C + M
MHz:
Calibration:
NMR references: 13C - Kuroyanagi M., Shiotsu M., Ebihara T., Kawai H., Ueno A., Fukushima S. Chem Pharm Bull (1986) 34, 4012
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) | 39.7 |
| 2 (CH2) | 33.2 |
| 3 (C) | 217 |
| 4 (C) | 42.3 |
| 5 (CH) | 58.6 |
| 6 (CH) | 67.5 |
| 7 (CH2) | 44.2 |
| 8 (C) | 38.4 |
| 9 (CH) | 49.2 |
| 10 (C) | 32.2 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 25.6 |
| 13 (CH) | 38 |
| 14 (C) | 41.4 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.2 |
| 18 (CH) | 49 |
| 19 (CH) | 47.4 |
| 20 (C) | 150.5 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 25.6 |
| 24 (CH3) | 19.4 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 14.6 |
| 28 (C) | 179.2 |
| 29 (CH2) | 109.7 |
| 30 (CH3) | 19.4 |
