Spektraris NMR
(13Z)-19-Acetoxy-7alpha,15-dihydroxylabda-8(20),13-dien-2-one
Common Name: (13Z)-19-Acetoxy-7alpha,15-dihydroxylabda-8(20),13-dien-2-one
Synonyms: (13Z)-19-Acetoxy-7alpha,15-dihydroxylabda-8(20),13-dien-2-one
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-14(8-9-23)6-7-18-15(2)19(26)10-20-21(4,13-27-16(3)24)11-17(25)12-22(18,20)5/h8,18-20,23,26H,2,6-7,9-13H2,1,3-5H3/b14-8-/t18-,19+,20-,21+,22+/m0/s1
InChIKey: InChIKey=AHIPHYZNSMHQBT-ITOMHQBLSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fragoso-Serrano, M., Gonzalez-Chimeo, E., Pereda-Miranda, R. J Nat Prod (1999) 62, 45-50
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) | 53.7 |
| 2 (C) | 209.9 |
| 3 (CH2) | 50.3 |
| 4 (C) | 41.3 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 33.6 |
| 7 (CH) | 73.4 |
| 8 (C) | 148.6 |
| 9 (CH) | 53.3 |
| 10 (C) | 43.4 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 29.7 |
| 13 (C) | 141.7 |
| 14 (CH) | 120.3 |
| 15 (CH2) | 61.1 |
| 16 (CH3) | 23.2 |
| 17 (CH2) | 104.9 |
| 18 (CH3) | 27.7 |
| 19 (CH2) | 67.1 |
| 20 (CH3) | 15.9 |
| 19a (C) | 170.7 |
| 19b (CH3) | 21.5 |
