Spektraris NMR
13-dehydroxystecholide J
Common Name: 13-dehydroxystecholide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O11/c1-13-11-19(34-15(3)29)23(36-17(5)31)26(7)20(35-16(4)30)10-9-14(2)22(26)24(37-18(6)32)28-21(12-13)38-25(33)27(28,8)39-28/h9,12,19-24H,10-11H2,1-8H3/b13-12-/t19-,20-,21-,22+,23-,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=ZWAKJZFEDLSNFY-LCLRRLDDSA-N
Formula: C28H36O11
Molecular Weight: 548.579926
Exact Mass: 548.225762
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, J., Nieto, R.M., Jimenez, C. J Nat Prod (1998) 61, 313-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 43.9 |
| 2 (CH) | 72.6 |
| 3 (CH) | 72.5 |
| 4 (CH2) | 33.8 |
| 5 (C) | 142.5 |
| 6 (CH) | 121.6 |
| 7 (CH) | 73.5 |
| 8 (C) | 73.9 |
| 9 (CH) | 72.6 |
| 10 (CH) | 44 |
| 11 (C) | 135.1 |
| 12 (CH) | 122.1 |
| 13 (CH2) | 28.2 |
| 14 (CH) | 76 |
| 15 (CH3) | 17 |
| 16 (CH3) | 23.5 |
| 17 (C) | 62.2 |
| 18 (CH3) | 10.5 |
| 19 (C) | 171.3 |
| 20 (CH3) | 20.7 |
| 2a (C) | 169.3 |
| 2b (CH3) | 20.7 |
| 3a (C) | 169.6 |
| 3b (CH3) | 20.9 |
| 9a (C) | 169.9 |
| 9b (CH3) | 21.7 |
| 14a (C) | 170.2 |
| 14b (CH3) | 23.5 |
