Spektraris NMR
Macherinic acid lactone
Common Name: Macherinic acid lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19)17-23(25)33-24(30)32/h8,19-23,31H,9-17H2,1-7H3/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=PWZMNBAVCHYMBK-FMMUPTMQSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delgado M. C. C., Da Silva M. S., Fo R. B. Phytochemistry (1984) 23, 2289
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) | 38.1 |
| 2 (CH2) | 27 |
| 3 (CH) | 78.7 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.4 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 121.9 |
| 13 (C) | 140.3 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 23.8 |
| 17 (C) | 43.3 |
| 18 (CH) | 39.8 |
| 19 (CH2) | 47.4 |
| 20 (C) | 39.5 |
| 21 (CH) | 84.1 |
| 22 (CH2) | 36.7 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 26.1 |
| 28 (C) | 181.8 |
| 29 (CH3) | 27.5 |
| 30 (CH3) | 23.6 |
