Spektraris NMR
(4abeta)-1beta-Ethoxy-1,5alpha,6alpha,8aalpha-tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-2alpha-ol
![(4abeta)-1beta-Ethoxy-1,5alpha,6alpha,8aalpha-tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-2alpha-ol](/nmr/static/nmr/svg/1529.svg)
Common Name: (4abeta)-1beta-Ethoxy-1,5alpha,6alpha,8aalpha-tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-2alpha-ol
Synonyms: (4abeta)-1beta-Ethoxy-1,5alpha,6alpha,8aalpha-tetramethyl-5-[(E)-3-methyl-5-hydroxy-3-pentenyl]decalin-2alpha-ol
CAS Registry Number:
InChI: InChI=1S/C22H40O3/c1-7-25-22(6)19(24)9-8-18-20(4,13-10-16(2)12-15-23)17(3)11-14-21(18,22)5/h12,17-19,23-24H,7-11,13-15H2,1-6H3/b16-12+/t17-,18-,19-,20+,21-,22+/m1/s1
InChIKey: InChIKey=RBLSOOWMEDZHMU-DPJIJANLSA-N
Formula: C22H40O3
Molecular Weight: 352.552035
Exact Mass: 352.297745
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, S.M., Wu, S.H., Qin, X.D., Luo, X.D., Wu, D.G. Helv Chim Acta (2004) 87, 1279-86
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 16.2 |
| 2 (CH2) | 30.6 |
| 3 (CH) | 71.9 |
| 4 (C) | 79.3 |
| 5 (C) | 42.3 |
| 6 (CH2) | 31.9 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 36 |
| 9 (C) | 38.5 |
| 10 (CH) | 39.4 |
| 11 (CH2) | 37.2 |
| 12 (CH2) | 33.1 |
| 13 (C) | 141.3 |
| 14 (CH) | 122.9 |
| 15 (CH2) | 59.5 |
| 16 (CH3) | 16 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 14.3 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 18.3 |
| 4a (CH2) | 56.9 |
| 4b (CH3) | 16.3 |
