Spektraris NMR
(5R,6aS,7R,8R,10S,10aR)-10-Hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3-oxo-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
![(5R,6aS,7R,8R,10S,10aR)-10-Hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3-oxo-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate](/nmr/static/nmr/svg/12774.svg)
Common Name: (5R,6aS,7R,8R,10S,10aR)-10-Hydroxy-7,8-dimethyl-7-[(2E)-3-methyl-2,4-pentadien-1-yl]-3-oxo-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-5-yl 4-hydroxybenzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O6/c1-5-16(2)10-11-26(4)17(3)12-23(29)27-15-32-25(31)21(27)13-20(14-22(26)27)33-24(30)18-6-8-19(28)9-7-18/h5-10,13,17,20,22-23,28-29H,1,11-12,14-15H2,2-4H3/b16-10+/t17-,20+,22+,23+,26-,27+/m1/s1
InChIKey: InChIKey=HAEVZRHACGLYMV-DQSCHRRLSA-N
Formula: C27H32O6
Molecular Weight: 452.540403
Exact Mass: 452.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Beutler, J.A., McCall, K.L., Herbert, K., Herald, D.L., Pettit, G.R., Johnson, T., Shoemaker, R.H., Boyd, M.R. J Nat Prod (2000) 63, 657-61
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) | 28 |
| 2 (CH) | 67.7 |
| 3 (CH) | 131.6 |
| 4 (C) | 140.5 |
| 5 (C) | 49 |
| 6 (CH) | 73 |
| 7 (CH2) | 37 |
| 8 (CH) | 37.3 |
| 9 (C) | 39.2 |
| 10 (CH) | 42.6 |
| 11 (CH2) | 32.4 |
| 12 (CH) | 129.5 |
| 13 (C) | 137.6 |
| 14 (CH) | 142.6 |
| 15 (CH2) | 111.3 |
| 16 (CH3) | 12.4 |
| 17 (CH3) | 15.9 |
| 18 (C) | 167.1 |
| 19 (CH2) | 74.8 |
| 20 (CH3) | 25.3 |
| 2a (C) | 163.8 |
| 2b (C) | 122 |
| 2c (CH) | 116.3 |
| 2d (CH) | 132.9 |
| 2e (C) | 164.6 |
| 2f (CH) | 132.9 |
| 2g (CH) | 116.3 |
