Agallochin H

Agallochin H

Common Name: Agallochin H

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-16(2)12-5-7-18-10-17(3,14-15(18)23-14)6-4-13(18)19(12)8-9-20(16,21)22-11-19/h12-15,21H,4-11H2,1-3H3/t12-,13-,14?,15?,17?,18+,19+,20+/m0/s1

InChIKey: InChIKey=GUFDSAGOSLFDBB-HZTYSORVSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anjaneyulu, A.S., Rao, V.L., Sreedhar, K. J Nat Prod (2002) 65, 382-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) 33.7
2 (CH2) 29.4
3 (C) 98.2
4 (C) 40.4
5 (CH) 51.1
6 (CH2) 20.1
7 (CH2) 35.6
8 (C) 43.6
9 (CH) 49.5
10 (C) 35.5
11 (CH2) 21.2
12 (CH2) 31.7
13 (C) 39
14 (CH2) 46
15 (CH) 55.2
16 (CH) 59.6
17 (CH3) 21.3
18 (CH3) 27.6
19 (CH3) 18.1
20 (CH2) 67.8