Spektraris NMR
Caruifolin B
Common Name: Caruifolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O7/c1-11-15-7-9-28(5,34)21-17(23(15)36-26(11)32)13(3)20-18(21)19-22(31)14(4)30(20)24(19)29(6,35)10-8-16-12(2)27(33)37-25(16)30/h11-12,14-16,18-21,23-25,34-35H,7-10H2,1-6H3/t11-,12-,14-,15-,16-,18-,19+,20-,21-,23-,24-,25-,28-,29-,30+/m0/s1
InChIKey: InChIKey=IZSZKQWJVIKEFE-PJXMREQLSA-N
Formula: C30H40O7
Molecular Weight: 512.635542
Exact Mass: 512.277404
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ma, C., Nakamura, N., Hattori, M., Zhu, S., Komatsu, K. J Nat Prod (2000) 63, 1626-9
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 (CH) | 65.2 |
| 2 (CH) | 56.9 |
| 3 (C) | 221.8 |
| 4 (CH) | 43.9 |
| 5 (C) | 56.9 |
| 6 (CH) | 84.3 |
| 7 (CH) | 45.4 |
| 8 (CH2) | 28.9 |
| 9 (CH2) | 44.6 |
| 10 (C) | 71.5 |
| 11 (CH) | 43.7 |
| 12 (C) | 181 |
| 13 (CH3) | 13.5 |
| 14 (CH3) | 31 |
| 15 (CH3) | 10.8 |
| 1' (CH) | 58.1 |
| 2' (CH) | 44.5 |
| 3' (CH) | 61.5 |
| 4' (C) | 140.4 |
| 5' (C) | 144.3 |
| 6' (CH) | 84.1 |
| 7' (CH) | 50.8 |
| 8' (CH2) | 25.3 |
| 9' (CH2) | 44.8 |
| 10' (C) | 75.2 |
| 11' (CH) | 43.2 |
| 12' (C) | 181.5 |
| 13' (CH3) | 12.6 |
| 14' (CH3) | 30.1 |
| 15' (CH3) | 19.1 |
