Spektraris NMR
Rotundeic acid B
Common Name: Rotundeic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13-15-6-7-17-21(12-15,18(13)26-14(2)23)11-8-16-20(3,4)9-5-10-22(16,17)19(24)25/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16-,17-,18-,21-,22+/m1/s1
InChIKey: InChIKey=XWCPHHFBYIZOIA-MEILYROSSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tanaka, H., Asakawa, Y. Phytochemistry (1997) 44, 653-7
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) | 20.5 |
| 3 (CH2) | 42.3 |
| 4 (C) | 34.1 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 38.2 |
| 8 (C) | 46 |
| 9 (CH) | 46.7 |
| 10 (C) | 47.9 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 31.4 |
| 13 (CH) | 40.3 |
| 14 (CH2) | 37.4 |
| 15 (CH) | 81.8 |
| 16 (C) | 153.4 |
| 17 (CH2) | 106.5 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.1 |
| 20 (C) | 184.1 |
| 15a (C) | 171.3 |
| 15b (CH3) | 21.3 |
