Spektraris NMR
3alpha,11alpha,23-Trihydroxylupa-20(29)-ene-28-oic acid
Common Name: 3alpha,11alpha,23-Trihydroxylupa-20(29)-ene-28-oic acid
Synonyms: 3alpha,11alpha,23-Trihydroxylupa-20(29)-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(2)18-7-12-30(25(34)35)14-13-28(5)19(23(18)30)15-20(32)24-26(3)10-9-22(33)27(4,16-31)21(26)8-11-29(24,28)6/h18-24,31-33H,1,7-16H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,22+,23+,24+,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=TXJTZIIDMZBTEB-KTYMJOEPSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ty P.D., Lischewski M., Phiet H.V., Preiss A., Sung T.V., Schmidt J., Adam G. Phytochemistry (1984) 23, 2889
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) | 36 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 76 |
| 4 (C) | 41.3 |
| 5 (CH) | 44 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 35.7 |
| 8 (C) | 42.9 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.7 |
| 11 (CH) | 70 |
| 12 (CH2) | 38.5 |
| 13 (CH) | 37.7 |
| 14 (C) | 42.9 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 32.9 |
| 17 (C) | 56.6 |
| 18 (CH) | 49.5 |
| 19 (CH) | 47.6 |
| 20 (C) | 150.9 |
| 21 (CH2) | 31.3 |
| 22 (CH2) | 37.4 |
| 23 (CH2) | 72 |
| 24 (CH3) | 18.4 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 14.9 |
| 28 (C) | 178.8 |
| 29 (CH2) | 110.1 |
| 30 (CH3) | 19.6 |
