Spektraris NMR
Secaubrytriol
Common Name: Secaubrytriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=NFSDEMPRAKPPFK-HIGWZERASA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Grougnet, R., Magiatis, P., Mitaku, S., Loizou, S., Moutsatsou, P., Terzis, A., Cabalion, P., Tillequin, F., Michel, S. J Nat Prod (2006) 69, 1711-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 30.3 |
| 2 (CH2) | 32.7 |
| 3 (C) | 177.9 |
| 4 (C) | 154.1 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 30.2 |
| 7 (CH2) | 26.5 |
| 8 (CH) | 49.6 |
| 9 (C) | 23.1 |
| 10 (C) | 28.7 |
| 11 (CH2) | 28.1 |
| 12 (CH2) | 34.3 |
| 13 (C) | 46.3 |
| 14 (C) | 50.1 |
| 15 (CH2) | 36.9 |
| 16 (CH2) | 29.2 |
| 17 (CH) | 53.8 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 31.4 |
| 20 (CH) | 37.1 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 34.4 |
| 23 (CH2) | 28.8 |
| 24 (CH) | 79.8 |
| 25 (C) | 73.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 24.9 |
| 28 (CH2) | 110.2 |
| 29 (CH2) | 64.6 |
| 30 (CH3) | 19.9 |
