Spektraris NMR
19-Acetoxyspongia-13(16),14-dien-3-one
Common Name: 19-Acetoxyspongia-13(16),14-dien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14(23)26-13-22(4)18-7-9-20(2)16-12-25-11-15(16)5-6-17(20)21(18,3)10-8-19(22)24/h11-12,17-18H,5-10,13H2,1-4H3/t17-,18+,20-,21+,22+/m0/s1
InChIKey: InChIKey=ZOMCMFCGQVIKDG-ZQONDGBOSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ponomarenko, L.P., Kalinovsky, A.I., Afiyatullov, S., Pushilin, M.A., Gerasimenko, A.V., Krasokhin, V.B., Stonik, V.A. J Nat Prod (2007) 70, 1110-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spongianes; 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) | 39.8 |
| 2 (CH2) | 34.6 |
| 3 (C) | 213.1 |
| 4 (C) | 52 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 40.8 |
| 8 (C) | 34.1 |
| 9 (CH) | 55.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 18.7 |
| 12 (CH2) | 20.6 |
| 13 (C) | 119.4 |
| 14 (C) | 136.6 |
| 15 (CH) | 135.1 |
| 16 (CH) | 136.9 |
| 17 (CH3) | 26 |
| 18 (CH3) | 20.7 |
| 19 (CH2) | 65.9 |
| 20 (CH3) | 16.3 |
| 19a (C) | 170.9 |
| 19b (CH3) | 20.8 |
