Spektraris NMR
13a,14a-Epoxy-3b-methoxyserratan-21b-ol
Common Name: 13a,14a-Epoxy-3b-methoxyserratan-21b-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-25(2)21-10-17-30-19-27(5)14-9-20-26(3,4)24(33-8)13-15-28(20,6)22(27)11-18-31(30,34-30)29(21,7)16-12-23(25)32/h20-24,32H,9-19H2,1-8H3/t20-,21-,22-,23+,24-,27-,28-,29-,30-,31-/m0/s1
InChIKey: InChIKey=KXYFBHNGKKOKLF-ZKRZMYISSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
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) | 88.3 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 44.8 |
| 8 (C) | 37.1 |
| 9 (CH) | 65.7 |
| 10 (C) | 38.4 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 33.8 |
| 13 (C) | 72.9 |
| 14 (C) | 65.7 |
| 15 (CH2) | 36.5 |
| 16 (CH2) | 16.8 |
| 17 (CH) | 46.2 |
| 18 (C) | 37.9 |
| 19 (CH2) | 29.3 |
| 20 (CH2) | 26.4 |
| 21 (CH) | 75.3 |
| 22 (C) | 38.1 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 21 |
| 27 (CH2) | 54 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 27.9 |
| 3a (CH3) | 57.5 |
