4β,8β-Dihydroxy-6α-(4-hydroxy-3-methoxybenzoyl)-dauc-9-ene

4β,8β-Dihydroxy-6α-(4-hydroxy-3-methoxybenzoyl)-dauc-9-ene

Common Name: 4β,8β-Dihydroxy-6α-(4-hydroxy-3-methoxybenzoyl)-dauc-9-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O6/c1-14(2)23(27)11-9-21(3)8-10-22(4,26)13-18(19(21)23)29-20(25)15-6-7-16(24)17(12-15)28-5/h6-8,10,12,14,18-19,24,26-27H,9,11,13H2,1-5H3/t18-,19+,21-,22+,23+/m0/s1

InChIKey: InChIKey=VSBPKNDASTZGIN-RNJSZURPSA-N

Formula: C23H32O6

Molecular Weight: 404.497459

Exact Mass: 404.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Auzi, A.A., Gray, A.I., Salem, M.M., Badwan, A.A., Sarker, S.D. J Asian Nat Prod Res (2008) 10, 701-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) 46.1
2 (CH2) 41.5
3 (CH2) 31.2
4 (C) 85.7
5 (CH) 52.8
6 (CH) 70.8
7 (CH2) 44.6
8 (C) 71.7
9 (CH) 132.4
10 (CH) 141.8
11 (CH) 36.9
12 (CH3) 18.7
13 (CH3) 17.6
14 (CH3) 29.2
15 (CH3) 21.6
1' (C) 166.9
2' (C) 122.6
3' (CH) 112.1
4' (C) 146.3
5' (C) 150.6
6' (CH) 114.5
7' (CH) 124.5
4'a (CH3) 56.3