Spektraris NMR
19-Acetoxy-20-hydroxyspongia-13(16),14-diene
Common Name: 19-Acetoxy-20-hydroxyspongia-13(16),14-diene
Synonyms: 19-Acetoxy-20-hydroxyspongia-13(16),14-diene
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15(24)26-14-20(2)8-4-9-22(13-23)18(20)7-10-21(3)17-12-25-11-16(17)5-6-19(21)22/h11-12,18-19,23H,4-10,13-14H2,1-3H3/t18-,19-,20+,21-,22+/m0/s1
InChIKey: InChIKey=ZUNPKKNJINJWLQ-BIRZXAFVSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Carroll, A.R., Lamb, J., Moni, R., Hooper, J.N.A., Quinn, R.J. J Nat Prod (2008) 71, 884-6
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) | 35.1 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 36.3 |
| 4 (C) | 36.9 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 42.7 |
| 8 (C) | 34.8 |
| 9 (CH) | 57.3 |
| 10 (C) | 40.3 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 22.4 |
| 13 (C) | 120 |
| 14 (C) | 137.8 |
| 15 (CH) | 135.5 |
| 16 (CH) | 136.7 |
| 17 (CH3) | 26 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 66.9 |
| 20 (CH2) | 62.4 |
| 19a (C) | 170.1 |
| 19b (CH3) | 20.5 |
