Spektraris NMR
2,6,6-Trimethyl-2beta-[2-[(S)-[(12-hydroxyabieta-8,11,13-triene-6alpha,7beta-diyl)bisoxy]methyl]-4-isopropyl-5-hydroxyphenyl]cyclohexane-1alpha-carbaldehyde
![2,6,6-Trimethyl-2beta-[2-[(S)-[(12-hydroxyabieta-8,11,13-triene-6alpha,7beta-diyl)bisoxy]methyl]-4-isopropyl-5-hydroxyphenyl]cyclohexane-1alpha-carbaldehyde](/nmr/static/nmr/svg/1338.svg)
Common Name: 2,6,6-Trimethyl-2beta-[2-[(S)-[(12-hydroxyabieta-8,11,13-triene-6alpha,7beta-diyl)bisoxy]methyl]-4-isopropyl-5-hydroxyphenyl]cyclohexane-1alpha-carbaldehyde
Synonyms: 2,6,6-Trimethyl-2beta-[2-[(S)-[(12-hydroxyabieta-8,11,13-triene-6alpha,7beta-diyl)bisoxy]methyl]-4-isopropyl-5-hydroxyphenyl]cyclohexane-1alpha-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C40H56O5/c1-22(2)24-17-26-28(19-30(24)42)40(10)16-12-14-38(7,8)35(40)34-33(26)44-36(45-34)27-18-25(23(3)4)31(43)20-29(27)39(9)15-11-13-37(5,6)32(39)21-41/h17-23,32-36,42-43H,11-16H2,1-10H3/t32-,33+,34-,35-,36+,39+,40+/m0/s1
InChIKey: InChIKey=MWDFPCUZRNPYPD-PDPGQQONSA-N
Formula: C40H56O5
Molecular Weight: 616.871143
Exact Mass: 616.412775
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 18.8 |
| 3 (CH2) | 42.9 |
| 4 (C) | 33.8 |
| 5 (CH) | 50.6 |
| 6 (CH) | 76.6 |
| 7 (CH) | 74.1 |
| 8 (C) | 126.2 |
| 9 (C) | 147.5 |
| 10 (C) | 37.7 |
| 11 (CH) | 109.1 |
| 12 (C) | 152.2 |
| 13 (C) | 131.4 |
| 14 (CH) | 125.8 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 22.4 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 35.1 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 22.3 |
| 1' (CH2) | 37.4 |
| 2' (CH2) | 19.5 |
| 3' (CH2) | 38.5 |
| 4' (C) | 31.6 |
| 5' (CH) | 63.8 |
| 6' (CH) | 207.3 |
| 7' (CH) | 99.4 |
| 8' (C) | 126.8 |
| 9' (C) | 145.6 |
| 10' (C) | 39.4 |
| 11' (CH) | 112.5 |
| 12' (C) | 153.3 |
| 13' (C) | 131.9 |
| 14' (CH) | 129 |
| 15' (CH) | 26.9 |
| 16' (CH3) | 22.4 |
| 17' (CH3) | 22.4 |
| 18' (CH3) | 22.4 |
| 19' (CH3) | 22.4 |
| 20' (CH3) | 24 |
