Andrographiside

Andrographiside

Common Name: Andrographiside

Synonyms: Andrographiside

CAS Registry Number:

InChI: InChI=1S/C26H40O10/c1-13-4-7-18-25(2,15(13)6-5-14-16(28)11-34-23(14)33)9-8-19(29)26(18,3)12-35-24-22(32)21(31)20(30)17(10-27)36-24/h5,15-22,24,27-32H,1,4,6-12H2,2-3H3/b14-5+/t15-,16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

InChIKey: InChIKey=VUEPOIYXKZTLMD-ANZZXSATSA-N

Formula: C26H40O10

Molecular Weight: 512.590813

Exact Mass: 512.262148

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) 37.9
2 (CH2) 29.2
3 (CH) 79.1
4 (C) 43.3
5 (CH) 55.7
6 (CH2) 25
7 (CH2) 38.4
8 (C) 148.2
9 (CH) 56.6
10 (C) 39.5
11 (CH2) 25.1
12 (CH) 146.9
13 (C) 130.1
14 (CH) 66
15 (CH2) 75.2
16 (C) 170.6
17 (CH2) 108.5
18 (CH3) 24.4
19 (CH2) 72
20 (CH3) 14.8
1' (CH) 105.4
2' (CH) 74.9
3' (CH) 78.7
4' (CH) 71.8
5' (CH) 78.4
6' (CH2) 62.8