Spektraris NMR
Abiesanolide F
Common Name: Abiesanolide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-18(2)21-8-9-24-23(27(21,5)13-12-25(31)32)11-15-28(6)22(10-14-29(24,28)7)19(3)16-30(34)17-20(4)26(33)35-30/h9,17,19,21-23,34H,1,8,10-16H2,2-7H3,(H,31,32)/t19-,21+,22-,23-,27+,28-,29+,30?/m1/s1
InChIKey: InChIKey=HXIKBCWIRGDXDE-MURQTFHJSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, H.Y., Wu, L.J., Nakane, T., Shirota, O., Kuroyanagi, M. Chem Pharm Bull (2008) 56, 554-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 29.5 |
| 2 (CH2) | 29.6 |
| 3 (C) | 177.9 |
| 4 (C) | 150.3 |
| 5 (CH) | 45.8 |
| 6 (CH2) | 30.1 |
| 7 (CH) | 118.5 |
| 8 (C) | 147 |
| 9 (CH) | 39.3 |
| 10 (C) | 36.7 |
| 11 (CH2) | 19 |
| 12 (CH2) | 34.5 |
| 13 (C) | 44.1 |
| 14 (C) | 52.2 |
| 15 (CH2) | 34.4 |
| 16 (CH2) | 29 |
| 17 (CH) | 54 |
| 18 (CH3) | 21.9 |
| 19 (CH3) | 24.3 |
| 20 (CH) | 33.1 |
| 21 (CH3) | 20.8 |
| 22 (CH2) | 44.5 |
| 23 (C) | 105.1 |
| 24 (CH) | 149 |
| 25 (C) | 131.4 |
| 26 (C) | 173.5 |
| 27 (CH3) | 10.4 |
| 28 (CH2) | 112.1 |
| 29 (CH3) | 26.1 |
| 30 (CH3) | 27.6 |
