Spektraris NMR
Rhodomollein XVIII
Common Name: Rhodomollein XVIII
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10+,11-,12-,13+,14-,15+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=OIRQCTPPDJLTNN-IVXIYUMGSA-N
Formula: C20H34O7
Molecular Weight: 386.480538
Exact Mass: 386.230453
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) | 52.4 |
| 2 (CH) | 75 |
| 3 (CH) | 84.2 |
| 4 (C) | 47.8 |
| 5 (C) | 84.1 |
| 6 (CH) | 74.7 |
| 7 (CH2) | 44.5 |
| 8 (C) | 52.9 |
| 9 (CH) | 56.9 |
| 10 (C) | 78.6 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 56.7 |
| 14 (CH) | 79.7 |
| 15 (CH2) | 60.4 |
| 16 (C) | 79.9 |
| 17 (CH3) | 24.1 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 20.2 |
| 20 (CH3) | 31.4 |
