Spektraris NMR
7β-Acetoxy-9α-hydroxy-15,16-epoxy-labda-13(16),14-dien-6-one
Common Name: 7β-Acetoxy-9α-hydroxy-15,16-epoxy-labda-13(16),14-dien-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-18(27-15(2)23)17(24)19-20(3,4)9-6-10-21(19,5)22(14,25)11-7-16-8-12-26-13-16/h8,12-14,18-19,25H,6-7,9-11H2,1-5H3/t14-,18-,19+,21+,22-/m1/s1
InChIKey: InChIKey=OWCQALBGYGLWAV-ASKKKEJKSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 10860-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 34.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42.4 |
| 4 (C) | 32.5 |
| 5 (CH) | 56.5 |
| 6 (C) | 205.2 |
| 7 (CH) | 79.5 |
| 8 (CH) | 43.9 |
| 9 (C) | 77.6 |
| 10 (C) | 48.6 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 31.8 |
| 13 (C) | 124.8 |
| 14 (CH) | 110.9 |
| 15 (CH) | 143.5 |
| 16 (CH) | 138.9 |
| 17 (CH3) | 12.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 18.2 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21 |
