Spektraris NMR
(9R,10alpha,13E)-15-Hydroxylabda-8(20),13-dien-3-one
Common Name: (9R,10alpha,13E)-15-Hydroxylabda-8(20),13-dien-3-one
Synonyms: (9R,10alpha,13E)-15-Hydroxylabda-8(20),13-dien-3-one
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(11-13-21)6-8-16-15(2)7-9-17-19(3,4)18(22)10-12-20(16,17)5/h11,16-17,21H,2,6-10,12-13H2,1,3-5H3/b14-11+/t16-,17+,20+/m1/s1
InChIKey: InChIKey=VTXXXWGWPGFGDD-AQAHBOBTSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L. Phytochemistry (2000) 55, 891-901
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) | 37.6 |
| 2 (CH2) | 34.7 |
| 3 (C) | 217 |
| 4 (C) | 47.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 25.1 |
| 7 (CH2) | 38.3 |
| 8 (C) | 147.2 |
| 9 (CH) | 55.2 |
| 10 (C) | 39.2 |
| 11 (CH2) | 22.3 |
| 12 (CH2) | 37.9 |
| 13 (C) | 140 |
| 14 (CH) | 123.5 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 107.5 |
| 18 (CH3) | 26 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14 |
