Spektraris NMR
2-Acetoxystolonidiol
Common Name: 2-Acetoxystolonidiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-13-6-7-16-21(12-23,27-16)11-18-22(28-18)15(19(3,4)25)8-9-20(22,5)17(10-13)26-14(2)24/h15-18,23,25H,1,6-12H2,2-5H3/t15-,16+,17+,18-,20-,21-,22-/m0/s1
InChIKey: InChIKey=WCNZILSICNGEAM-WGDCLDDCSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwashima, M., Matsumoto, Y., Takenaka, Y., Iguchi, K., Yamori, T. J Nat Prod (2002) 65, 1441-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Dolabellanes; 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 (C) | 49.7 |
| 2 (CH) | 70.9 |
| 3 (CH2) | 37.3 |
| 4 (C) | 144.4 |
| 5 (CH2) | 31.4 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 58.9 |
| 8 (C) | 62.5 |
| 9 (CH2) | 25.8 |
| 10 (CH) | 55.7 |
| 11 (C) | 74.9 |
| 12 (CH) | 46.8 |
| 13 (CH2) | 26.2 |
| 14 (CH2) | 35.8 |
| 15 (CH3) | 12.6 |
| 16 (CH2) | 112.3 |
| 17 (CH2) | 65.4 |
| 18 (C) | 74.6 |
| 19 (CH3) | 30.1 |
| 20 (CH3) | 25.8 |
| 2a (C) | 170.6 |
| 2b (CH3) | 20.8 |
