Spektraris NMR
Mimusopic acid
Common Name: Mimusopic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)9-13-30(24(34)35)14-12-27(4)19(21(30)16-25)8-7-18-20-15-22(32)23(33)29(6,17-31)28(20,5)11-10-26(18,27)3/h8,21-23,31-33H,7,9-17H2,1-6H3,(H,34,35)/t21-,22-,23-,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=LCZNLGJYHVTTAT-RALSZBTISA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sen S., Sahu N. P., Mahato S. B. Tetrahedron (1993) 49, 9031-38
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Mimusopanes; 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) | 29.4 |
| 2 (CH) | 68.5 |
| 3 (CH) | 74.7 |
| 4 (C) | 46.6 |
| 5 (C) | 41.1 |
| 6 (CH2) | 31 |
| 7 (CH2) | 30.3 |
| 8 (C) | 39.4 |
| 9 (C) | 133.7 |
| 10 (C) | 133.7 |
| 11 (CH2) | 29 |
| 12 (CH) | 121.7 |
| 13 (C) | 144.7 |
| 14 (C) | 41.6 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 24 |
| 17 (C) | 47 |
| 18 (CH) | 41.5 |
| 19 (CH2) | 47.3 |
| 20 (C) | 31 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 33.1 |
| 23 (CH2) | 67.3 |
| 24 (CH3) | 16 |
| 25 (CH3) | 27.9 |
| 26 (CH3) | 24 |
| 27 (CH3) | 26.2 |
| 28 (C) | 179.9 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.8 |
