Spektraris NMR
13R,14R-epoxy-6β,7β-carbonyldioxy-labd-8-en-15-ilo
Common Name: 13R,14R-epoxy-6β,7β-carbonyldioxy-labd-8-en-15-ilo
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7S/c1-17-8-10-19(11-9-17)36(30,31)32-16-21-28(6,35-21)15-12-20-18(2)22-23(34-25(29)33-22)24-26(3,4)13-7-14-27(20,24)5/h8-11,21-24H,7,12-16H2,1-6H3/t21-,22+,23+,24-,27+,28-/m0/s1
InChIKey: InChIKey=DFHHTDGMKGAIQA-KNPSGQGUSA-N
Formula: C28H38O7S1
Molecular Weight: 518.664273
Exact Mass: 518.233824
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29
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) | 39.1 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.7 |
| 4 (C) | 34.2 |
| 5 (CH) | 51.9 |
| 6 (CH) | 75.1 |
| 7 (CH) | 78.9 |
| 8 (C) | 121.7 |
| 9 (C) | 148.5 |
| 10 (C) | 38.7 |
| 11 (CH2) | 23.1 |
| 12 (CH2) | 38.3 |
| 13 (C) | 61.1 |
| 14 (CH) | 58.9 |
| 15 (CH2) | 68.5 |
| 16 (CH3) | 16.7 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 33 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 22.6 |
| 7a (C) | 155.4 |
| 15a (C) | 132.8 |
| 15b (CH) | 128.2 |
| 15c (CH) | 130.2 |
| 15d (C) | 145.5 |
| 15e (CH) | 130.2 |
| 15f (CH) | 128.2 |
| 15da (CH3) | 21.9 |
