Spektraris NMR
11-Hydroxyfruticolone
Common Name: 11-Hydroxyfruticolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-13-8-18(26)22(12-28-14(2)23)19(16(24)4-6-21(22)11-29-21)20(13,3)17(25)9-15-5-7-27-10-15/h5,7,10,13,16-17,19,24-25H,4,6,8-9,11-12H2,1-3H3/t13-,16+,17?,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=DTZLZYIULJKFLH-AUQFEKIDSA-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) | 67.4 |
| 2 (CH2) | 33.9 |
| 3 (CH2) | 28.2 |
| 4 (C) | 61.5 |
| 5 (C) | 54.8 |
| 6 (C) | 207.1 |
| 7 (CH2) | 45.8 |
| 8 (CH) | 36.1 |
| 9 (C) | 43.2 |
| 10 (CH) | 50.1 |
| 11 (CH) | 78.1 |
| 12 (CH2) | 26.2 |
| 13 (C) | 121.3 |
| 14 (CH) | 110.9 |
| 15 (CH) | 143.9 |
| 16 (CH) | 140.4 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 49.3 |
| 19 (CH2) | 64.5 |
| 20 (CH3) | 17.2 |
| 19a (C) | 170.9 |
| 19b (CH3) | 21.1 |
