Spektraris NMR
Secaubryolide
Common Name: Secaubryolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O5/c1-18(2)14-21(32)15-19(3)22-8-10-29(6)24-16-23-26(20(4)27(34)36-23)31(11-9-25(33)35-7)17-30(24,31)13-12-28(22,29)5/h14,19,22-24,26H,4,8-13,15-17H2,1-3,5-7H3/t19-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
InChIKey: InChIKey=RGFKYIOSMXLVPZ-PDRQEGEBSA-N
Formula: C31H44O5
Molecular Weight: 496.679231
Exact Mass: 496.318875
NMR Solvent: CDCl3
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) | 30.9 |
| 2 (CH2) | 31.2 |
| 3 (C) | 173.4 |
| 4 (C) | 139.1 |
| 5 (CH) | 39 |
| 6 (CH) | 74.4 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 38.3 |
| 9 (C) | 25 |
| 10 (C) | 28.2 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 45.8 |
| 14 (C) | 48.7 |
| 15 (CH2) | 34.7 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 15.9 |
| 19 (CH2) | 23 |
| 20 (CH) | 33.3 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 51.6 |
| 23 (C) | 201.3 |
| 24 (CH) | 124.2 |
| 25 (C) | 154.9 |
| 26 (CH3) | 27.6 |
| 27 (CH3) | 20.6 |
| 28 (CH2) | 123.1 |
| 29 (C) | 170.7 |
| 30 (CH3) | 20.1 |
| 3a (CH3) | 51.8 |
