Spektraris NMR
(1S,2S,6S,10R,15R)-15-Hydroxy-12,12-dimethyl-5,9,14-tris(methylene)-3,11,13-trioxatetracyclo[8.3.3.01,10.02,6]hexadecan-4-one
![(1S,2S,6S,10R,15R)-15-Hydroxy-12,12-dimethyl-5,9,14-tris(methylene)-3,11,13-trioxatetracyclo[8.3.3.01,10.02,6]hexadecan-4-one](/nmr/static/nmr/svg/13380.svg)
Common Name: (1S,2S,6S,10R,15R)-15-Hydroxy-12,12-dimethyl-5,9,14-tris(methylene)-3,11,13-trioxatetracyclo[8.3.3.01,10.02,6]hexadecan-4-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O5/c1-9-6-7-12-10(2)15(20)21-14(12)18-11(3)13(19)8-17(9,18)22-16(4,5)23-18/h12-14,19H,1-3,6-8H2,4-5H3/t12-,13+,14-,17+,18-/m0/s1
InChIKey: InChIKey=CVJHVRNQHCIJOO-ASJPCPMZSA-N
Formula: C18H22O5
Molecular Weight: 318.364967
Exact Mass: 318.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wedge, D.E., Galindo, J.C., Macias, F.A. Phytochemistry (2000) 53, 747-57
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 88.8 |
| 2 (CH2) | 45.4 |
| 3 (CH) | 71.8 |
| 4 (C) | 153.4 |
| 5 (C) | 91.7 |
| 6 (CH) | 82.7 |
| 7 (CH) | 39.7 |
| 8 (CH2) | 30.6 |
| 9 (CH2) | 29.4 |
| 10 (C) | 140.1 |
| 11 (C) | 147.8 |
| 12 (C) | 169.3 |
| 13 (CH2) | 120.3 |
| 14 (CH2) | 116.2 |
| 15 (CH2) | 115.7 |
| 1a (C) | 113.2 |
| 1b (CH3) | 28.6 |
| 1aa (CH3) | 28.3 |
