Spektraris NMR
Labda-13(16),14-diene-7alpha,8,19-triol 19-[(E)-3-(4-hydroxyphenyl)propenoate]
![Labda-13(16),14-diene-7alpha,8,19-triol 19-[(E)-3-(4-hydroxyphenyl)propenoate]](/nmr/static/nmr/svg/7931.svg)
Common Name: Labda-13(16),14-diene-7alpha,8,19-triol 19-[(E)-3-(4-hydroxyphenyl)propenoate]
Synonyms: Labda-13(16),14-diene-7alpha,8,19-triol 19-[(E)-3-(4-hydroxyphenyl)propenoate]
CAS Registry Number:
InChI: InChI=1S/C29H40O5/c1-6-20(2)8-14-23-28(4)17-7-16-27(3,24(28)18-25(31)29(23,5)33)19-34-26(32)15-11-21-9-12-22(30)13-10-21/h6,9-13,15,23-25,30-31,33H,1-2,7-8,14,16-19H2,3-5H3/b15-11+/t23-,24+,25-,27-,28-,29+/m1/s1
InChIKey: InChIKey=KSSMCBMLOPQHOP-CXVDEOLRSA-N
Formula: C29H40O5
Molecular Weight: 468.625996
Exact Mass: 468.287574
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1998) 48, 1391-7
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) | 39.3 |
| 2 (CH2) | 18 |
| 3 (CH2) | 36.5 |
| 4 (C) | 36.4 |
| 5 (CH) | 47 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 74.3 |
| 8 (C) | 75.1 |
| 9 (CH) | 54.5 |
| 10 (C) | 38.5 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 34.9 |
| 13 (C) | 147.1 |
| 14 (CH) | 138.7 |
| 15 (CH2) | 113.5 |
| 16 (CH2) | 115.8 |
| 17 (CH3) | 23 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 67.3 |
| 20 (CH3) | 15.3 |
| 19a (C) | 168.1 |
| 19b (CH) | 116 |
| 19c (CH) | 144.9 |
| 19d (C) | 126.4 |
| 19e (CH) | 130 |
| 19f (CH) | 114.9 |
| 19g (C) | 158.7 |
| 19h (CH) | 114.9 |
| 19i (CH) | 130 |
