Spektraris NMR
7b-Hydroxyfruticolone
Common Name: 7b-Hydroxyfruticolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-13-17(25)19(26)22(12-28-14(2)23)18(16(24)5-8-21(22)11-29-21)20(13,3)7-4-15-6-9-27-10-15/h6,9-10,13,16-18,24-25H,4-5,7-8,11-12H2,1-3H3/t13-,16+,17-,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=RDODYPGIYNDBAE-MJVBHVPDSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coll, J., Tandron, Y. Phytochemistry (2004) 65, 387-92
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 (CH) | 66.9 |
| 2 (CH2) | 34.8 |
| 3 (CH2) | 28.4 |
| 4 (C) | 61.7 |
| 5 (C) | 54.4 |
| 6 (C) | 207.8 |
| 7 (CH) | 73.8 |
| 8 (CH) | 46.7 |
| 9 (C) | 40.2 |
| 10 (CH) | 52.8 |
| 11 (CH2) | 38.9 |
| 12 (CH2) | 18 |
| 13 (C) | 124.2 |
| 14 (CH) | 110.7 |
| 15 (CH) | 143.1 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 11 |
| 18 (CH2) | 49.3 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 20.6 |
| 19a (C) | 170.8 |
| 19b (CH3) | 20.9 |
