Spektraris NMR
(1S,8aalpha)-Decahydro-3alpha-hydroxy-1,4abeta-dimethyl-6-methylene-5beta-(3-hydroxy-3-methyl-4-pentenyl)naphthalene-1beta-carboxylic acid
Common Name: (1S,8aalpha)-Decahydro-3alpha-hydroxy-1,4abeta-dimethyl-6-methylene-5beta-(3-hydroxy-3-methyl-4-pentenyl)naphthalene-1beta-carboxylic acid
Synonyms: (1S,8aalpha)-Decahydro-3alpha-hydroxy-1,4abeta-dimethyl-6-methylene-5beta-(3-hydroxy-3-methyl-4-pentenyl)naphthalene-1beta-carboxylic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-6-18(3,24)10-9-15-13(2)7-8-16-19(15,4)11-14(21)12-20(16,5)17(22)23/h6,14-16,21,24H,1-2,7-12H2,3-5H3,(H,22,23)/t14-,15+,16-,18?,19-,20+/m1/s1
InChIKey: InChIKey=JYOFALADCIRECO-YJTASHCFSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, S.J., Rosazza, J.P. J Nat Prod (1998) 61, 922-6
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) | 47.7 |
| 2 (CH) | 64.9 |
| 3 (CH2) | 46.6 |
| 4 (C) | 45 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 25.5 |
| 7 (CH2) | 38.4 |
| 8 (C) | 147.1 |
| 9 (CH) | 56.4 |
| 10 (C) | 41.6 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 41.3 |
| 13 (C) | 73.6 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.8 |
| 16 (CH3) | 27.8 |
| 17 (CH2) | 107.6 |
| 18 (CH3) | 28.8 |
| 19 (C) | 181.5 |
| 20 (CH3) | 13.7 |
