Spektraris NMR
Pseudoirroratin A
Common Name: Pseudoirroratin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-10-11-8-19(24)16-18(9-25-19)6-4-5-17(2,3)12(18)7-13(21)20(16,14(10)22)15(11)23/h11-13,15-16,21,23-24H,1,4-9H2,2-3H3/t11-,12+,13+,15+,16+,18-,19+,20+/m0/s1
InChIKey: InChIKey=NDYPVJHBSKUXPP-VWIBHASISA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, H., Fan, Z., Tan, G.T., Chai, H.B., Pezzuto, J.M., Sun, H., Fong, H.H. J Nat Prod (2002) 65, 215-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.4 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 41.6 |
| 4 (C) | 34.3 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 28.8 |
| 7 (CH) | 75.1 |
| 8 (C) | 57.9 |
| 9 (CH) | 62.8 |
| 10 (C) | 50.5 |
| 11 (C) | 103.7 |
| 12 (CH2) | 46.3 |
| 13 (CH) | 45 |
| 14 (CH) | 74.3 |
| 15 (C) | 209.1 |
| 16 (C) | 153.2 |
| 17 (CH2) | 116.6 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 21.6 |
| 20 (CH2) | 69.4 |
