4β,8β-Dihydroxy-6α-benzoyl-dauc-9-ene

4β,8β-Dihydroxy-6α-benzoyl-dauc-9-ene

Common Name: 4β,8β-Dihydroxy-6α-benzoyl-dauc-9-ene

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=RLHMEXGBDMGLGZ-ZQONDGBOSA-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) 46
2 (CH2) 41.5
3 (CH2) 31.2
4 (C) 85.8
5 (CH) 52.3
6 (CH) 71.1
7 (CH2) 46.3
8 (C) 73
9 (CH) 134.9
10 (CH) 138.3
11 (CH) 36.8
12 (CH3) 18.6
13 (CH3) 17.6
14 (CH3) 29.2
15 (CH3) 21.5
1' (C) 167.1
2' (C) 130.5
3' (CH) 129.9
4' (CH) 128.5
5' (CH) 133.5
6' (CH) 128.5
7' (CH) 129.9