Spektraris NMR
Celaphanol B
Common Name: Celaphanol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O5/c1-17(9-19)5-4-6-18(2)11-8-13(23-3)12(20)7-10(11)14(21)15(22)16(17)18/h7-8,19-20,22H,4-6,9H2,1-3H3/t17-,18-/m1/s1
InChIKey: InChIKey=KJOVGUXTTUZJSJ-QZTJIDSGSA-N
Formula: C18H22O5
Molecular Weight: 318.364967
Exact Mass: 318.146724
NMR Solvent: CD3OD
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) | 33.7 |
| 2 (CH2) | 17.1 |
| 3 (CH2) | 31.8 |
| 4 (C) | 43.3 |
| 5 (C) | 140.1 |
| 6 (C) | 145.5 |
| 7 (C) | 181.1 |
| 8 (C) | 122.4 |
| 9 (C) | 150.2 |
| 10 (C) | 41.6 |
| 11 (CH) | 109.1 |
| 12 (C) | 154.2 |
| 13 (C) | 146.7 |
| 14 (CH) | 111.9 |
| 15 (CH3) | 22.7 |
| 16 (CH2) | 68.9 |
| 17 (CH3) | 33.5 |
| 12a (CH3) | 56.5 |
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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.