Spektraris NMR
Labda-7,14-dien-9,13-diol
Common Name: Labda-7,14-dien-9,13-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-7-18(5,21)13-14-20(22)15(2)9-10-16-17(3,4)11-8-12-19(16,20)6/h7,9,16,21-22H,1,8,10-14H2,2-6H3/t16-,18?,19-,20+/m1/s1
InChIKey: InChIKey=CCFOZCBUPHBZMK-VOBGVNJCSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, C.L., Lin, H.R. Phytochemistry (1997) 44, 101-5
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) | 33.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.1 |
| 5 (CH) | 42.4 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 126.7 |
| 8 (C) | 135.1 |
| 9 (C) | 90.9 |
| 10 (C) | 41.2 |
| 11 (CH2) | 28.4 |
| 12 (CH2) | 37.2 |
| 13 (C) | 83.3 |
| 14 (CH) | 145.3 |
| 15 (CH2) | 110 |
| 16 (CH3) | 29.1 |
| 17 (CH3) | 21 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 16.9 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.