Spektraris NMR
3b-Hydroxy-D:A-friedo-oleanan-27.29-dioic acid
Common Name: 3b-Hydroxy-D:A-friedo-oleanan-27.29-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-18-19(31)7-8-20-27(18,4)10-9-21-28(20,5)14-16-30(24(34)35)22-17-26(3,23(32)33)12-11-25(22,2)13-15-29(21,30)6/h18-22,31H,7-17H2,1-6H3,(H,32,33)(H,34,35)/t18-,19-,20+,21-,22+,25+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=MPBXAHSULIQMFY-IUOQDEFPSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gibbons, S., Gray, A.I., Hockless, D.C.R., Lavaud, C., Nuzillard, J.M., Massiot, G., Waterman, P.G., White, A.H. Phytochemistry (1993) 34, 273-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 17.1 |
| 2 (CH2) | 36.8 |
| 3 (CH) | 71.8 |
| 4 (CH) | 50.1 |
| 5 (C) | 39 |
| 6 (CH2) | 42.6 |
| 7 (CH2) | 19 |
| 8 (CH) | 53.3 |
| 9 (C) | 38.2 |
| 10 (CH) | 62.3 |
| 11 (CH2) | 38.8 |
| 12 (CH2) | 28.7 |
| 13 (C) | 54.9 |
| 14 (C) | 40.1 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 36.8 |
| 17 (C) | 31.1 |
| 18 (CH) | 43.3 |
| 19 (CH2) | 33.1 |
| 20 (C) | 41.4 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 38.1 |
| 23 (CH3) | 12.9 |
| 24 (CH3) | 17.5 |
| 25 (CH3) | 18.9 |
| 26 (CH3) | 24.1 |
| 27 (C) | 180.2 |
| 28 (CH3) | 31.3 |
| 29 (C) | 182.3 |
| 30 (CH3) | 33.2 |
