Spektraris NMR
Premnone C
Common Name: Premnone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-19(17-26(33)35-6)23(31)18-29(4)21(3)27(28(34)30(5)20(2)11-10-14-24(29)30)36-25(32)16-15-22-12-8-7-9-13-22/h7-9,11-13,15-16,21,24,27-28,34H,1,10,14,17-18H2,2-6H3/b16-15+/t21-,24-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=BQVDTHYZGFCERA-GBOSTOGDSA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chin, Y.W., Jones, W.P., Mi, Q., Rachman, I., Riswan, S., Kardono, L.B., Chai, H.B., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Cassady, J.M., Kinghorn, A.D. Phytochemistry (2006) 67, 1243-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 20 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 123.2 |
| 4 (C) | 144.7 |
| 5 (C) | 45.3 |
| 6 (CH) | 78.4 |
| 7 (CH) | 78.9 |
| 8 (CH) | 41.1 |
| 9 (C) | 43.1 |
| 10 (CH) | 45.9 |
| 11 (CH2) | 43.7 |
| 12 (C) | 202 |
| 13 (C) | 145.1 |
| 14 (CH2) | 38.1 |
| 15 (C) | 173.3 |
| 16 (CH2) | 128.3 |
| 17 (CH3) | 12.1 |
| 18 (CH3) | 22.8 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 19.1 |
| 1' (C) | 136 |
| 2' (CH) | 129.2 |
| 3' (CH) | 130 |
| 4' (CH) | 131.4 |
| 5' (CH) | 130 |
| 6' (CH) | 129.2 |
| 7' (CH) | 146.1 |
| 8' (CH) | 119.5 |
| 9' (C) | 169.1 |
| 15a (CH3) | 52.5 |
