Spektraris NMR
13a,14a-Epoxy-21a-methoxyserratan-3-one
Common Name: 13a,14a-Epoxy-21a-methoxyserratan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O3/c1-25(2)20-9-14-27(5)19-30-17-10-21-26(3,4)24(33-8)13-16-29(21,7)31(30,34-30)18-11-22(27)28(20,6)15-12-23(25)32/h20-22,24H,9-19H2,1-8H3/t20-,21-,22-,24-,27-,28-,29-,30-,31-/m0/s1
InChIKey: InChIKey=ASUNVHRUJYSWCX-UVOQKOQMSA-N
Formula: C31H50O3
Molecular Weight: 470.728065
Exact Mass: 470.375995
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) | 39.6 |
| 2 (CH2) | 33.9 |
| 3 (C) | 218.1 |
| 4 (C) | 47.1 |
| 5 (CH) | 54.3 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 43.7 |
| 8 (C) | 37 |
| 9 (CH) | 64.8 |
| 10 (C) | 38 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 34 |
| 13 (C) | 72.5 |
| 14 (C) | 65.5 |
| 15 (CH2) | 36.8 |
| 16 (CH2) | 16.9 |
| 17 (CH) | 53.2 |
| 18 (C) | 37.7 |
| 19 (CH2) | 34.3 |
| 20 (CH2) | 23.2 |
| 21 (CH) | 88 |
| 22 (C) | 39.1 |
| 23 (CH3) | 27.3 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 20.4 |
| 27 (CH2) | 53.7 |
| 28 (CH3) | 16.5 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 28 |
| 21a (CH3) | 57.6 |
