Spektraris NMR
(4aR,7R,8S,8aR)-4a,5,6,7,8,8a-Hexahydro-4,4a,7,8-tetramethyl-8-(3-oxobutyl)naphthalene-2(1H)-one
Common Name: (4aR,7R,8S,8aR)-4a,5,6,7,8,8a-Hexahydro-4,4a,7,8-tetramethyl-8-(3-oxobutyl)naphthalene-2(1H)-one
Synonyms: (4aR,7R,8S,8aR)-4a,5,6,7,8,8a-Hexahydro-4,4a,7,8-tetramethyl-8-(3-oxobutyl)naphthalene-2(1H)-one
CAS Registry Number:
InChI: InChI=1S/C18H28O2/c1-12-6-8-18(5)13(2)10-15(20)11-16(18)17(12,4)9-7-14(3)19/h10,12,16H,6-9,11H2,1-5H3/t12-,16-,17+,18+/m1/s1
InChIKey: InChIKey=CIUORYCGUNFGHQ-QTXLCTLRSA-N
Formula: C18H28O2
Molecular Weight: 276.414397
Exact Mass: 276.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93
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) | 35 |
| 2 (C) | 199.8 |
| 3 (CH) | 125.6 |
| 4 (C) | 172.1 |
| 5 (C) | 39.9 |
| 6 (CH2) | 35.7 |
| 7 (CH2) | 26.9 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.4 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 30.9 |
| 12 (CH2) | 37.1 |
| 13 (C) | 208.1 |
| 16 (CH3) | 30 |
| 17 (CH3) | 15.7 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 18.3 |
| 20 (CH3) | 17.7 |
