Spektraris NMR
Rhomollein XII
Common Name: Rhomollein XII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O7/c1-10-12-6-7-13-17(25)21(12,9-20(13,5)27)8-14(29-11(2)23)22(28)15(10)16(24)18(26)19(22,3)4/h12-18,24-28H,1,6-9H2,2-5H3/t12-,13+,14+,15+,16+,17+,18-,20+,21-,22+/m0/s1
InChIKey: InChIKey=GNHZNTQMUDZLBA-WJISHZKOSA-N
Formula: C22H34O7
Molecular Weight: 410.50201
Exact Mass: 410.230453
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) | 53 |
| 2 (CH) | 82.6 |
| 3 (CH) | 88.4 |
| 4 (C) | 48.5 |
| 5 (C) | 82.3 |
| 6 (CH) | 76 |
| 7 (CH2) | 36.8 |
| 8 (C) | 50 |
| 9 (CH) | 53.2 |
| 10 (C) | 148.6 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 24.3 |
| 13 (CH) | 56.2 |
| 14 (CH) | 79 |
| 15 (CH2) | 62.2 |
| 16 (C) | 80.9 |
| 17 (CH3) | 26 |
| 18 (CH3) | 25.7 |
| 19 (CH3) | 20.3 |
| 20 (CH2) | 114.2 |
| 6a (C) | 171.8 |
| 6b (CH3) | 21.5 |
