3-O-Acetyl-5-O-methylbotcinolide

3-O-Acetyl-5-O-methylbotcinolide

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)

Carbon NMR Peaks

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