Spektraris NMR
Cereotagaloperoxide
Common Name: Cereotagaloperoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-19(2)22(34-33)12-18-30(8,32)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(31)26(3,4)23(27)13-17-29(24,28)7/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21+,22?,23+,24-,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=DSOJBUJYPBMGGO-GPDZCRDTSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pakhathirathien, C., Karalai, C., Ponglimanont, C., Subhadhirasakul, S., Chantrapromma, K. J Nat Prod (2005) 68, 1787-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.3 |
| 9 (CH) | 50.6 |
| 10 (C) | 37 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 24.8 |
| 13 (CH) | 42.3 |
| 14 (C) | 50.3 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27 |
| 17 (CH) | 49.6 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 16.1 |
| 20 (C) | 75.1 |
| 21 (CH3) | 24.6 |
| 22 (CH2) | 36.5 |
| 23 (CH2) | 24.6 |
| 24 (CH) | 89.5 |
| 25 (C) | 144.1 |
| 26 (CH2) | 113.7 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 15.3 |
