Spektraris NMR
protobassic acid
Common Name: protobassic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=IDQVFXZQPGAVAM-YPRSBIJBSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Toyota M., Msonthi J. D., Hostettman K. Phytochemistry (1990) 29, 2849
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) | 47.4 |
| 2 (CH) | 71.8 |
| 3 (CH) | 73 |
| 4 (C) | 43.6 |
| 5 (CH) | 49.1 |
| 6 (CH) | 67 |
| 7 (CH2) | 41 |
| 8 (C) | 39.3 |
| 9 (CH) | 49 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24.1 |
| 12 (CH) | 123.1 |
| 13 (C) | 144.2 |
| 14 (C) | 42.9 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.8 |
| 17 (C) | 46.7 |
| 18 (CH) | 42.1 |
| 19 (CH2) | 46.5 |
| 20 (C) | 31 |
| 21 (CH2) | 34.2 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 67.5 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 18.5 |
| 26 (CH3) | 19 |
| 27 (CH3) | 26.4 |
| 28 (C) | 180.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.8 |
