Spektraris NMR
Rhodomollein XIII
Common Name: Rhodomollein XIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O7/c1-11(23)29-16-9-21-10-19(4,26)12(17(21)25)6-7-13(21)20(5,27)14-8-15(24)18(2,3)22(14,16)28/h12-17,24-28H,6-10H2,1-5H3/t12-,13+,14+,15+,16-,17-,19-,20+,21+,22+/m1/s1
InChIKey: InChIKey=FAQBWQCBGONEEW-AOKPVCRJSA-N
Formula: C22H36O7
Molecular Weight: 412.517891
Exact Mass: 412.246104
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) | 52.2 |
| 2 (CH2) | 35.7 |
| 3 (CH) | 82.7 |
| 4 (C) | 51.6 |
| 5 (C) | 83.8 |
| 6 (CH) | 77.9 |
| 7 (CH2) | 39.6 |
| 8 (C) | 52.2 |
| 9 (CH) | 55.4 |
| 10 (C) | 78.1 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 56.8 |
| 14 (CH) | 78.9 |
| 15 (CH2) | 60.2 |
| 16 (C) | 79.6 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 19.7 |
| 20 (CH3) | 28.5 |
| 6a (C) | 170 |
| 6b (CH3) | 21.6 |
