Spektraris NMR
13a,14a epoxy-3b-methoxyserratan-21b-yl acetate
Common Name: 13a,14a epoxy-3b-methoxyserratan-21b-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O4/c1-21(34)36-26-14-17-31(8)23(28(26,4)5)11-18-32-20-29(6)15-10-22-27(2,3)25(35-9)13-16-30(22,7)24(29)12-19-33(31,32)37-32/h22-26H,10-20H2,1-9H3/t22-,23-,24-,25-,26+,29-,30-,31-,32-,33-/m0/s1
InChIKey: InChIKey=YMYZAVKWXLWORD-YTEAYJGZSA-N
Formula: C33H54O4
Molecular Weight: 514.780705
Exact Mass: 514.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., In, Y., Ishida, T., Matsunaga, S., Terada, Y. J Nat Prod (2001) 64, 1044-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 38.5 |
| 2 (CH2) | 22.2 |
| 3 (CH) | 88.5 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 44.8 |
| 8 (C) | 37.1 |
| 9 (CH) | 65.6 |
| 10 (C) | 38.4 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 33.8 |
| 13 (C) | 72.8 |
| 14 (C) | 65.6 |
| 15 (CH2) | 36.5 |
| 16 (CH2) | 16.6 |
| 17 (CH) | 47.4 |
| 18 (C) | 37.6 |
| 19 (CH2) | 30 |
| 20 (CH2) | 23.9 |
| 21 (CH) | 76.6 |
| 22 (C) | 37.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 20.6 |
| 27 (CH2) | 53.8 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 21.7 |
| 30 (CH3) | 27.5 |
| 3a (CH3) | 57.5 |
| 21a (C) | 170.5 |
| 21b (CH3) | 21.2 |
