Spektraris NMR
8-[(5-carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10adodeca
![8-[(5-carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10adodeca](/nmr/static/nmr/svg/9221.svg)
Common Name: 8-[(5-carboxy-2,9-epoxy)benzyl]-2,5-dihydroxy-1,1,4a,7,8-pentamethyl-1,2,3,4,4a,6,7,8,9,10,10adodeca
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O5/c1-14-10-17(28)22-23-19(12-20-25(2,3)21(29)8-9-26(20,22)4)32-18-7-6-15(24(30)31)11-16(18)13-27(14,23)5/h6-7,11,14,17,19-21,28-29H,8-10,12-13H2,1-5H3,(H,30,31)/t14-,17+,19-,20-,21-,26-,27-/m1/s1
InChIKey: InChIKey=MJJYRBWVKARFOM-FORJUWHVSA-N
Formula: C27H36O5
Molecular Weight: 440.572761
Exact Mass: 440.256274
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jaki, B., Heilmann, J., Sticher, O. J Nat Prod (2000) 63, 1283-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 36.2 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 79.5 |
| 4 (C) | 39.9 |
| 5 (CH) | 45.6 |
| 6 (CH2) | 29.3 |
| 7 (CH) | 77.1 |
| 8 (C) | 138.5 |
| 9 (C) | 146.9 |
| 10 (C) | 39.8 |
| 11 (CH) | 64.8 |
| 12 (CH2) | 38.6 |
| 13 (CH) | 34.4 |
| 14 (C) | 41.4 |
| 15 (CH2) | 38.2 |
| 16 (C) | 127 |
| 17 (CH) | 133.6 |
| 18 (C) | 126.9 |
| 19 (CH) | 130.6 |
| 20 (CH) | 121.6 |
| 21 (C) | 163.8 |
| 22 (CH3) | 16.5 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 17.6 |
| 27 (C) | 170.2 |
