4β, 9α-Dihydroxy-6α-benzoyl-dauc-7-ene

4β, 9α-Dihydroxy-6α-benzoyl-dauc-7-ene

Common Name: 4β, 9α-Dihydroxy-6α-benzoyl-dauc-7-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-14(2)22(25)11-10-21(4)13-17(23)15(3)12-18(19(21)22)26-20(24)16-8-6-5-7-9-16/h5-9,12,14,17-19,23,25H,10-11,13H2,1-4H3/t17-,18-,19+,21+,22+/m0/s1

InChIKey: InChIKey=XUBRQXOGVTUWAS-JIWOIOHBSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

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) 42.7
2 (CH2) 42.2
3 (CH2) 32.1
4 (C) 86.7
5 (CH) 55
6 (CH) 73.5
7 (CH) 126.3
8 (C) 139.4
9 (CH) 70
10 (CH2) 50.7
11 (CH) 37.2
12 (CH3) 18.6
13 (CH3) 17.6
14 (CH3) 24.1
15 (CH3) 19.2
1' (C) 166.9
2' (C) 130.5
3' (CH) 130
4' (CH) 128.7
5' (CH) 133.4
6' (CH) 128.7
7' (CH) 130