Spektraris NMR
Rhodomollein XIV
Common Name: Rhodomollein XIV
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O7/c1-16(2)15(23)13(22)14-18(4,25)10-6-5-9-12(10)19(26,8-17(9,3)24)7-11(21)20(14,16)27/h9-15,21-27H,5-8H2,1-4H3/t9-,10-,11-,12-,13-,14+,15+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=IXAODJOYDZCKBG-QVHXAIQXSA-N
Formula: C20H34O7
Molecular Weight: 386.480538
Exact Mass: 386.230453
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 : Kalmanes; 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) | 61.2 |
| 2 (CH) | 80.3 |
| 3 (CH) | 85.9 |
| 4 (C) | 52 |
| 5 (C) | 85.6 |
| 6 (CH) | 72.4 |
| 7 (CH2) | 44.4 |
| 8 (C) | 83.1 |
| 9 (CH) | 53.1 |
| 10 (C) | 76 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 31.3 |
| 13 (CH) | 60.7 |
| 14 (CH) | 54.7 |
| 15 (CH2) | 53.9 |
| 16 (C) | 80.1 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 25.1 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 26 |
