Spektraris NMR
(5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate
Common Name: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate
Synonyms: (5beta,8S,9alpha,10alpha,13R)-8,13-Epoxylabd-14-ene-6beta,19-diol diacetate
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-8-22(5)13-10-19-23(6)12-9-11-21(4,15-27-16(2)25)20(23)18(28-17(3)26)14-24(19,7)29-22/h8,18-20H,1,9-15H2,2-7H3/t18-,19+,20-,21-,22+,23+,24+/m1/s1
InChIKey: InChIKey=BRXZXQIEEQCORU-JHNFMNEESA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91
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) | 38.5 |
| 2 (CH2) | 17.4 |
| 3 (CH2) | 36.9 |
| 4 (C) | 37.4 |
| 5 (CH) | 52.1 |
| 6 (CH) | 70.4 |
| 7 (CH2) | 49.3 |
| 8 (C) | 74.7 |
| 9 (CH) | 57.9 |
| 10 (C) | 36.3 |
| 11 (CH2) | 16 |
| 12 (CH2) | 34.4 |
| 13 (C) | 73.4 |
| 14 (CH) | 147.1 |
| 15 (CH2) | 109.7 |
| 16 (CH3) | 32.4 |
| 17 (CH3) | 25 |
| 18 (CH2) | 74.1 |
| 19 (CH3) | 17.6 |
| 20 (CH3) | 17.2 |
| 6a (C) | 171 |
| 6b (CH3) | 21.5 |
| 18a (C) | 170.1 |
| 18b (CH3) | 20.9 |
