Spektraris NMR
(5beta,9alpha,10alpha,13S)-19-[(4-Hydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-15-oic acid
![(5beta,9alpha,10alpha,13S)-19-[(4-Hydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-15-oic acid](/nmr/static/nmr/svg/6024.svg)
Common Name: (5beta,9alpha,10alpha,13S)-19-[(4-Hydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-15-oic acid
Synonyms: (5beta,9alpha,10alpha,13S)-19-[(4-Hydroxy-trans-cinnamoyl)oxy]labd-8(20)-en-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C29H40O5/c1-20(18-26(31)32)6-13-24-21(2)7-14-25-28(3,16-5-17-29(24,25)4)19-34-27(33)15-10-22-8-11-23(30)12-9-22/h8-12,15,20,24-25,30H,2,5-7,13-14,16-19H2,1,3-4H3,(H,31,32)/b15-10+/t20-,24+,25+,28+,29-/m0/s1
InChIKey: InChIKey=YCHBREPSJXLSOJ-HAFCEMPDSA-N
Formula: C29H40O5
Molecular Weight: 468.625996
Exact Mass: 468.287574
NMR Solvent: CDCl3
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) | 38.5 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 36 |
| 4 (C) | 37 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 38 |
| 8 (C) | 148.1 |
| 9 (CH) | 56.8 |
| 10 (C) | 39.5 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 35.6 |
| 13 (CH) | 30.7 |
| 14 (CH2) | 41.8 |
| 15 (C) | 178.6 |
| 16 (CH3) | 19.5 |
| 17 (CH2) | 106.6 |
| 18 (CH2) | 72.8 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 14.9 |
| 18b (C) | 167.8 |
| 18c (CH) | 115.5 |
| 18d (CH) | 144.6 |
| 18e (C) | 127 |
| 18f (CH) | 130 |
| 18g (CH) | 115.9 |
| 18h (C) | 157.9 |
| 18i (CH) | 115.9 |
| 18j (CH) | 130 |
