3,5,6,9,14,16-hexahydroxy-grayanotoxa-D 1(10)-ene

3,5,6,9,14,16-hexahydroxy-grayanotoxa-D 1(10)-ene

Common Name: 3,5,6,9,14,16-hexahydroxy-grayanotoxa-D 1(10)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O6/c1-10-12-7-13(21)16(2,3)20(12,26)14(22)8-18-9-17(4,24)11(15(18)23)5-6-19(10,18)25/h11,13-15,21-26H,5-9H2,1-4H3/t11-,13+,14-,15-,17-,18-,19+,20+/m1/s1

InChIKey: InChIKey=CKLIKFCKEAPQBE-VHGKIUBDSA-N

Formula: C20H32O6

Molecular Weight: 368.465252

Exact Mass: 368.219889

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Terai, T., Osakabe, K., Katai, M., Sakaguchi, K., Narama, I., Matsuura, T., Katakawa, J., Tetsumi, T. Chem Pharm Bull (2003) 51, 351-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grayananes; 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) 139.8
2 (CH2) 42.2
3 (CH) 80.9
4 (C) 51.4
5 (C) 85
6 (CH) 73.2
7 (CH2) 42.5
8 (C) 55
9 (C) 80.7
10 (C) 137.5
11 (CH2) 33.8
12 (CH2) 24.2
13 (CH) 52.3
14 (CH) 85.7
15 (CH2) 55.9
16 (C) 82
17 (CH3) 20
18 (CH3) 22.9
19 (CH3) 24.9
20 (CH3) 18.4