Spektraris NMR
ent-14-Labden-8β-ol 13α-O-β-D-glucopyranosyl-19-O-r-L-rhamnopyranoside
Common Name: ent-14-Labden-8β-ol 13α-O-β-D-glucopyranosyl-19-O-r-L-rhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H56O12/c1-7-30(4,44-28-26(39)24(37)22(35)18(15-33)43-28)13-9-20-31(5)12-8-11-29(3,19(31)10-14-32(20,6)40)16-41-27-25(38)23(36)21(34)17(2)42-27/h7,17-28,33-40H,1,8-16H2,2-6H3/t17-,18+,19+,20-,21-,22+,23+,24-,25+,26+,27+,28-,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=RHBPRZNGOVTCFW-RORJIACGSA-N
Formula: C32H56O12
Molecular Weight: 632.78109
Exact Mass: 632.377177
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) | 40.7 |
| 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) | 73.9 |
| 9 (CH) | 60.9 |
| 10 (C) | 40.4 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 46.6 |
| 13 (C) | 82.1 |
| 14 (CH) | 144.5 |
| 15 (CH2) | 116.1 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 31 |
| 18 (CH3) | 28.3 |
| 19 (CH2) | 71.5 |
| 20 (CH3) | 16.4 |
| 1' (CH) | 101.8 |
| 2' (CH) | 72.4 |
| 3' (CH) | 72.7 |
| 4' (CH) | 73.9 |
| 5' (CH) | 69.9 |
| 6' (CH3) | 18 |
| 1'' (CH) | 99.5 |
| 2'' (CH) | 75.3 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.7 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 62.8 |
