Spektraris NMR
terminolic acid
Common Name: terminolic 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-GGVBUJAJSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kundu A. P., Mahato S. B. Phytochemistry (1993) 32, 999
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) | 48.9 |
| 2 (CH) | 67.4 |
| 3 (CH) | 75.6 |
| 4 (C) | 43.1 |
| 5 (CH) | 47.4 |
| 6 (CH) | 66 |
| 7 (CH2) | 39.6 |
| 8 (C) | 38.1 |
| 9 (CH) | 46.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 22.6 |
| 12 (CH) | 121.7 |
| 13 (C) | 143.3 |
| 14 (C) | 41.8 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 22.9 |
| 17 (C) | 45.5 |
| 18 (CH) | 40.9 |
| 19 (CH2) | 45.7 |
| 20 (C) | 30.4 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 32.1 |
| 23 (CH2) | 63.7 |
| 24 (CH3) | 14.9 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 25.7 |
| 28 (C) | 178.6 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 23.3 |
