Spektraris NMR
Rhodomollein XVI
Common Name: Rhodomollein XVI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O8/c1-10(23)30-17-11-6-7-12-20(5,28)15-14(25)16(26)18(2,3)22(15,29)13(24)8-21(12,17)9-19(11,4)27/h11-17,24-29H,6-9H2,1-5H3/t11-,12+,13-,14-,15+,16+,17-,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=LKSCFTKFQYQCKX-BNIKWREQSA-N
Formula: C22H36O8
Molecular Weight: 428.517296
Exact Mass: 428.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, C.J., Wang, L.Q., Chen, S.N., Qin, G.W. J Nat Prod (2000) 63, 1214-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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 (CH) | 56.9 |
| 2 (CH) | 80.9 |
| 3 (CH) | 86.7 |
| 4 (C) | 49 |
| 5 (C) | 82.8 |
| 6 (CH) | 71.7 |
| 7 (CH2) | 44.3 |
| 8 (C) | 50.8 |
| 9 (CH) | 54.9 |
| 10 (C) | 78.2 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 54.6 |
| 14 (CH) | 83.6 |
| 15 (CH2) | 61.7 |
| 16 (C) | 79.2 |
| 17 (CH3) | 24.2 |
| 18 (CH3) | 26.7 |
| 19 (CH3) | 20.2 |
| 20 (CH3) | 29.2 |
| 14a (C) | 170.5 |
| 14b (CH3) | 21.3 |
