Spektraris NMR
Striatic acid methyl ester
Common Name: Striatic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H52O5/c1-19(2)21-12-14-30(6)16-17-31(7)22(27(21)30)10-11-24-32(8)23(13-15-33(24,31)28(36)37-9)29(4,5)25(35)18-26(32)38-20(3)34/h21-27,35H,1,10-18H2,2-9H3/t21-,22+,23-,24+,25-,26+,27+,30+,31+,32-,33+/m0/s1
InChIKey: InChIKey=DZRGVKUBUGHUOW-NVPYWIFOSA-N
Formula: C33H52O5
Molecular Weight: 528.764228
Exact Mass: 528.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ayer W.A., Flanagan R.J., Reffstrup T. Tetrahedron (1984) 40, 2069
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH) | 79 |
| 2 (CH2) | 32.8 |
| 3 (CH) | 74.4 |
| 4 (C) | 38.6 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 30.3 |
| 8 (C) | 53.8 |
| 9 (CH) | 52.5 |
| 10 (C) | 42.5 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 24.2 |
| 13 (CH) | 36.7 |
| 14 (C) | 42.8 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 35 |
| 17 (C) | 42.7 |
| 18 (CH) | 48.2 |
| 19 (CH) | 47.6 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 39.4 |
| 23 (CH3) | 27.5 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 11.6 |
| 26 (C) | 176.3 |
| 27 (CH3) | 15.7 |
| 28 (CH3) | 17.6 |
| 29 (CH2) | 109.3 |
| 30 (CH3) | 19.3 |
| 1a (C) | 171.2 |
| 1b (CH3) | 21.6 |
| 26a (CH3) | 50.7 |
