Spektraris NMR
(13S)-13-[(2-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]labda-8(20),14-diene
![(13S)-13-[(2-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]labda-8(20),14-diene](/nmr/static/nmr/svg/15274.svg)
Common Name: (13S)-13-[(2-O-Acetyl-6-deoxy-α-L-mannopyranosyl)oxy]labda-8(20),14-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O6/c1-9-27(7,34-25-24(33-19(4)29)23(31)22(30)18(3)32-25)16-13-20-17(2)11-12-21-26(5,6)14-10-15-28(20,21)8/h9,18,20-25,30-31H,1-2,10-16H2,3-8H3/t18-,20-,21-,22-,23+,24+,25-,27+,28+/m0/s1
InChIKey: InChIKey=QKJSTDJCPDBOHF-GWMYBZPOSA-N
Formula: C28H46O6
Molecular Weight: 478.662309
Exact Mass: 478.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, E.W., Gao, X., Gao, K., Jia, Z.J. Chem Biodivers (2007) 4, 531-8
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) | 38.9 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.5 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 24.3 |
| 7 (CH2) | 38.2 |
| 8 (C) | 148.6 |
| 9 (CH) | 57.3 |
| 10 (C) | 39.7 |
| 11 (CH2) | 17.5 |
| 12 (CH2) | 40.6 |
| 13 (C) | 80.4 |
| 14 (CH) | 141.5 |
| 15 (CH2) | 115.9 |
| 16 (CH3) | 22.4 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 14.4 |
| 1' (CH) | 92.6 |
| 2' (CH) | 73.7 |
| 3' (CH) | 70.3 |
| 4' (CH) | 73.5 |
| 5' (CH) | 67.7 |
| 6' (CH3) | 18 |
| 2'a (C) | 171.1 |
| 2'b (CH3) | 21 |
