Common Name: 3-O-Acetyl-5-O-methylbotcinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O9/c1-8-9-10-17(25)11-12-18(26)32-19-13(2)20(29-7)23(6,28)21(31-16(5)24)14(3)22(27)30-15(19)4/h11-15,17,19-21,25,28H,8-10H2,1-7H3/b12-11+/t13-,14+,15+,17?,19+,20+,21-,23-/m1/s1
InChIKey: InChIKey=AOCQSDGADDMNAL-GGMDARKWSA-N
Formula: C23H38O9
Molecular Weight: 458.543319
Exact Mass: 458.251583
NMR Solvent: C6D6
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) | 173.9 |
2 (CH) | 38.8 |
3 (CH) | 78.3 |
4 (C) | 77.9 |
5 (CH) | 72.1 |
6 (CH) | 37 |
7 (CH) | 76.6 |
8 (CH) | 68.1 |
9 (C) | 165.9 |
10 (CH) | 119.5 |
11 (CH) | 151.2 |
12 (CH) | 71.1 |
13 (CH2) | 36.3 |
14 (CH2) | 27.3 |
15 (CH2) | 22.5 |
16 (CH3) | 13.9 |
17 (CH3) | 14.9 |
18 (CH3) | 14.2 |
19 (CH3) | 16.1 |
20 (CH3) | 17.9 |
3a (C) | 172.9 |
3b (CH3) | 20.9 |
5a (CH3) | 51.5 |