Spektraris NMR
7a,8b,13-Trihydroxy-5,13-marasmanolide
Common Name: 7a,8b,13-Trihydroxy-5,13-marasmanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O5/c1-12(2)4-7-8(5-12)13(3)6-14(13)10(17)20-11(18)15(14,19)9(7)16/h7-9,11,16,18-19H,4-6H2,1-3H3/t7-,8+,9-,11?,13-,14+,15-/m1/s1
InChIKey: InChIKey=NZJYWUVZSDQKBT-YKYOQPSESA-N
Formula: C15H22O5
Molecular Weight: 282.33276
Exact Mass: 282.146724
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, Y., Yang, S.P., Yue, J.M., Chow, S., Kitching, W. Helv Chim Acta (2003) 86, 2424-33
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Marasmanes; 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) | 45.2 |
| 2 (CH) | 47.6 |
| 3 (C) | 33.3 |
| 4 (CH2) | 25.5 |
| 5 (C) | 180.1 |
| 6 (C) | 36.4 |
| 7 (C) | 78.3 |
| 8 (CH) | 67.1 |
| 9 (CH) | 40.8 |
| 10 (CH2) | 43.3 |
| 11 (C) | 38 |
| 12 (CH3) | 33.3 |
| 13 (CH3) | 33.3 |
| 14 (CH) | 105.1 |
| 15 (CH3) | 17.9 |
