Spektraris NMR
Celaphanol A
Common Name: Celaphanol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O4/c1-16(2)5-4-6-17(3)10-8-12(19)11(18)7-9(10)13(20)14(21)15(16)17/h7-8,18-19,21H,4-6H2,1-3H3/t17-/m1/s1
InChIKey: InChIKey=MLGLJFWISHCOAE-QGZVFWFLSA-N
Formula: C17H20O4
Molecular Weight: 288.338945
Exact Mass: 288.136159
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, B., Duan, H.Q., Takaishi, Y. Phytochemistry (1999) 51, 683-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 33.8 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 38.1 |
| 4 (C) | 36.1 |
| 5 (C) | 140.2 |
| 6 (C) | 145.1 |
| 7 (C) | 180.1 |
| 8 (C) | 121 |
| 9 (C) | 149.4 |
| 10 (C) | 40.4 |
| 11 (CH) | 113 |
| 12 (C) | 153.5 |
| 13 (C) | 146.3 |
| 14 (CH) | 112.4 |
| 15 (CH3) | 27.9 |
| 16 (CH3) | 28.4 |
| 17 (CH3) | 35.4 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.