Common Name: 2-Epibotcinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12-,13+,14?,16+,17+,18-,20-/m1/s1
InChIKey: InChIKey=YFWCDPYMHQAWJE-MEPXGHNPSA-N
Formula: C20H34O8
Molecular Weight: 402.479943
Exact Mass: 402.225368
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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)
Position | PPM |
---|---|
1 (C) | 173.2 |
2 (CH) | 38.4 |
3 (CH) | 74.1 |
4 (C) | 76.3 |
5 (CH) | 78.5 |
6 (CH) | 35.6 |
7 (CH) | 77.2 |
8 (CH) | 68.5 |
9 (C) | 170.1 |
10 (CH) | 119.2 |
11 (CH) | 151.7 |
12 (CH) | 71.1 |
13 (CH2) | 36.4 |
14 (CH2) | 27.3 |
15 (CH2) | 22.5 |
16 (CH3) | 13.9 |
17 (CH3) | 10.3 |
18 (CH3) | 10.9 |
19 (CH3) | 13.7 |
20 (CH3) | 18.2 |