Spektraris NMR
(5beta,9alpha,10alpha,13S)-15-[(3,4-Dihydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-19-oic acid
![(5beta,9alpha,10alpha,13S)-15-[(3,4-Dihydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-19-oic acid](/nmr/static/nmr/svg/6026.svg)
Common Name: (5beta,9alpha,10alpha,13S)-15-[(3,4-Dihydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-19-oic acid
Synonyms: (5beta,9alpha,10alpha,13S)-15-[(3,4-Dihydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C29H40O6/c1-19(14-17-35-26(32)13-9-21-8-11-23(30)24(31)18-21)6-10-22-20(2)7-12-25-28(22,3)15-5-16-29(25,4)27(33)34/h8-9,11,13,18-19,22,25,30-31H,2,5-7,10,12,14-17H2,1,3-4H3,(H,33,34)/b13-9+/t19-,22+,25-,28-,29-/m0/s1
InChIKey: InChIKey=SLUZPAKLAPWHGG-LHLWPZQGSA-N
Formula: C29H40O6
Molecular Weight: 484.625401
Exact Mass: 484.282489
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mambu, L., Grellier, P., Florent, L., Joyeau, R., Ramanitrahasimbola, D., Rasoanaivo, P., Frappier, F. Phytochemistry (2006) 67, 444-51
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) | 39.5 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 38.4 |
| 4 (C) | 48 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 28 |
| 7 (CH2) | 39.1 |
| 8 (C) | 149 |
| 9 (CH) | 58.7 |
| 10 (C) | 40 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 36.9 |
| 13 (CH) | 31.7 |
| 14 (CH2) | 37 |
| 15 (CH2) | 63.9 |
| 16 (CH3) | 20.3 |
| 17 (CH2) | 107.4 |
| 18 (C) | 182.2 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 15.2 |
| 15b (C) | 169.4 |
| 15c (CH) | 115.3 |
| 15d (CH) | 146.8 |
| 15e (C) | 127.8 |
| 15f (CH) | 115.2 |
| 15g (C) | 146.8 |
| 15h (C) | 149.5 |
| 15i (CH) | 116.5 |
| 15j (CH) | 122.9 |
