Spektraris NMR
Artemyriantholide A
Common Name: Artemyriantholide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O6/c1-14-6-11-30-20(14)23-19(8-10-27(30,5)36-30)28(25(32)35-23)12-17-13-29(28)21(15(17)2)22-18(7-9-26(29,4)33)16(3)24(31)34-22/h6,17-20,22-23,33H,3,7-13H2,1-2,4-5H3/t17-,18-,19+,20+,22-,23-,26+,27-,28?,29+,30+/m0/s1
InChIKey: InChIKey=AJSGVZRKBLZUOW-DEOWJYKBSA-N
Formula: C30H36O6
Molecular Weight: 492.604374
Exact Mass: 492.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. J Nat Prod (2002) 65, 481-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 71.5 |
| 2 (CH2) | 47.1 |
| 3 (CH) | 45.3 |
| 4 (C) | 143 |
| 5 (C) | 134.3 |
| 6 (CH) | 82.7 |
| 7 (CH) | 51.2 |
| 8 (CH2) | 23.9 |
| 9 (CH2) | 41 |
| 10 (C) | 73.9 |
| 11 (C) | 138.9 |
| 12 (C) | 169.7 |
| 13 (CH2) | 120 |
| 14 (CH3) | 28.5 |
| 15 (CH3) | 14.3 |
| 1' (C) | 72.5 |
| 2' (CH2) | 39.4 |
| 3' (CH) | 125.3 |
| 4' (C) | 140.4 |
| 5' (CH) | 54 |
| 6' (CH) | 82.9 |
| 7' (CH) | 52.9 |
| 8' (CH2) | 21 |
| 9' (CH2) | 34.2 |
| 10' (C) | 62.7 |
| 11' (C) | 55.9 |
| 12' (C) | 185.6 |
| 13' (CH2) | 35.1 |
| 14' (CH3) | 22.3 |
| 15' (CH3) | 18.5 |
