Spektraris NMR
ent-14-Labden-8β-ol 13r-O-α-L-rhamnopyranosyl-19-O-α-Lrhamnopyranoside
Common Name: ent-14-Labden-8β-ol 13r-O-α-L-rhamnopyranosyl-19-O-α-Lrhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O11/c1-8-30(5,43-28-26(38)24(36)22(34)18(3)42-28)14-10-20-31(6)13-9-12-29(4,19(31)11-15-32(20,7)39)16-40-27-25(37)23(35)21(33)17(2)41-27/h8,17-28,33-39H,1,9-16H2,2-7H3/t17-,18-,19+,20-,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=WLTDCOMQNJRVOZ-GEHHGGEOSA-N
Formula: C32H56O11
Molecular Weight: 616.781685
Exact Mass: 616.382263
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Socolsky, C., Asakawa, Y., Bardon, A. J Nat Prod (2007) 70, 1837-45
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) | 40.6 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.8 |
| 4 (C) | 38.6 |
| 5 (CH) | 58 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 43.5 |
| 8 (C) | 74.3 |
| 9 (CH) | 60.9 |
| 10 (C) | 40.3 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 47.3 |
| 13 (C) | 80.9 |
| 14 (CH) | 143.7 |
| 15 (CH2) | 116.1 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 30.9 |
| 18 (CH3) | 28.3 |
| 19 (CH2) | 71.5 |
| 20 (CH3) | 16.4 |
| 1' (CH) | 96.7 |
| 2' (CH) | 72.4 |
| 3' (CH) | 72.5 |
| 4' (CH) | 73.8 |
| 5' (CH) | 69.8 |
| 6' (CH3) | 18 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 73.4 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 69.6 |
| 6'' (CH3) | 18 |
