Spektraris NMR
Rhodomollein XI
Common Name: Rhodomollein XI
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O8/c1-10(23)30-13-8-21-9-19(4,27)11(16(21)25)6-7-12(21)20(5,28)15-14(24)17(26)18(2,3)22(13,15)29/h11-17,24-29H,6-9H2,1-5H3/t11-,12+,13-,14-,15+,16-,17+,19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=VNEMCNXMJWNLDK-JYCFBXKDSA-N
Formula: C22H36O8
Molecular Weight: 428.517296
Exact Mass: 428.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, S.N., Zhang, H.P., Wang, L.Q., Bao, G.H., Qin, G.W. J Nat Prod (2004) 67, 1903-6
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) | 58.9 |
| 2 (CH) | 79.8 |
| 3 (CH) | 86.3 |
| 4 (C) | 49.3 |
| 5 (C) | 82.8 |
| 6 (CH) | 78.1 |
| 7 (CH2) | 40.3 |
| 8 (C) | 52.4 |
| 9 (CH) | 55.3 |
| 10 (C) | 78.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 56.6 |
| 14 (CH) | 78.9 |
| 15 (CH2) | 60.3 |
| 16 (C) | 79.8 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 25.1 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 29.6 |
| 6a (C) | 169.8 |
| 6b (CH3) | 21.7 |
