Neoandrographolide

Neoandrographolide

Common Name: Neoandrographolide

Synonyms: Neoandrographolide

CAS Registry Number:

InChI: InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24-,25+,26+/m1/s1

InChIKey: InChIKey=YGCYRQKJYWQXHG-RDNQFMDVSA-N

Formula: C26H40O8

Molecular Weight: 480.592003

Exact Mass: 480.272318

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Matsuda, T., Kuroyanagi, M., Sugiyama, S., Umehara, K., Ueno, A., Nishi, K. Chem Pharm Bull (1994) 42, 1216-25

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 39
2 (CH2) 19.3
3 (CH2) 36.4
4 (C) 39.8
5 (CH) 56.2
6 (CH2) 24.7
7 (CH2) 38.7
8 (C) 148.1
9 (CH) 56.6
10 (C) 38.6
11 (CH2) 22
12 (CH2) 24.9
13 (C) 134.1
14 (CH) 145.3
15 (CH2) 70.6
16 (C) 174.6
17 (CH2) 106.9
18 (CH3) 28.1
19 (CH2) 72.5
20 (CH3) 16.6
1' (CH) 105.5
2' (CH) 75.3
3' (CH) 78.7
4' (CH) 71.7
5' (CH) 78.4
6' (CH2) 62.8