Spektraris NMR
ent-Manool 13-O-b-D-xylopyranoside
Common Name: ent-Manool 13-O-b-D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O5/c1-7-24(5,30-22-21(28)20(27)18(26)15-29-22)14-11-17-16(2)9-10-19-23(3,4)12-8-13-25(17,19)6/h7,17-22,26-28H,1-2,8-15H2,3-6H3/t17-,18-,19+,20+,21-,22+,24-,25+/m1/s1
InChIKey: InChIKey=YWLGRHPRVPRHJD-LYYJVOFASA-N
Formula: C25H42O5
Molecular Weight: 422.598934
Exact Mass: 422.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torrenegra, R., Robles, J., Waibel, R., Lowel, M., Achenbach, H. Phytochemistry (1994) 35, 195-9
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 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.5 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.3 |
| 8 (C) | 148.7 |
| 9 (CH) | 57.4 |
| 10 (C) | 39.8 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 40.9 |
| 13 (C) | 81.1 |
| 14 (CH) | 142.1 |
| 15 (CH2) | 115.9 |
| 16 (CH3) | 22.6 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 21.7 |
| 20 (CH3) | 14.4 |
| 1' (CH) | 97.7 |
| 2' (CH) | 72.7 |
| 3' (CH) | 75 |
| 4' (CH) | 69.7 |
| 5' (CH2) | 64.2 |
