Spektraris NMR
12-Hydroxyisodesacetylplectranthone
Common Name: 12-Hydroxyisodesacetylplectranthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O5/c1-10-6-13(20)7-17(9-22-12(3)19)5-4-14(11(2)8-18)16(21)15(10)17/h6,11,14-16,18,21H,4-5,7-9H2,1-3H3/t11?,14-,15-,16+,17-/m0/s1
InChIKey: InChIKey=WUHPQEXBVBUCSB-QNXBYUGRSA-N
Formula: C17H26O5
Molecular Weight: 310.385994
Exact Mass: 310.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Orabi, K.Y. J Nat Prod (2000) 63, 1709-11
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (C) | 199.4 |
| 3 (CH) | 128.5 |
| 4 (C) | 159 |
| 5 (CH) | 43.3 |
| 6 (CH) | 71.6 |
| 7 (CH) | 38.7 |
| 8 (CH2) | 21.1 |
| 9 (CH2) | 28.6 |
| 10 (C) | 40.6 |
| 11 (CH) | 38 |
| 12 (CH3) | 15.2 |
| 13 (CH2) | 65.9 |
| 14 (CH2) | 68.1 |
| 15 (CH3) | 23.2 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.7 |
