(5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one

(5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one

Common Name: (5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one

Synonyms: (5beta,10alpha,13S)-2alpha,18-Dihydroxypimara-8,15-dien-7-one

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-5-18(2)7-6-15-14(11-18)16(23)8-17-19(3,12-21)9-13(22)10-20(15,17)4/h5,13,17,21-22H,1,6-12H2,2-4H3/t13-,17+,18-,19-,20-/m0/s1

InChIKey: InChIKey=RTPYHQOORJBPSU-CMBXTBLTSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fraga, B.M., Gonzalez, P., Hernandez, M.G., Chamy, M.C., Garbarino, J.A. Phytochemistry (1998) 47, 211-5

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 44.3
2 (CH) 64.4
3 (CH2) 44.8
4 (C) 39.9
5 (CH) 49.5
6 (CH2) 32.9
7 (C) 199.1
8 (C) 128.9
9 (C) 164.3
10 (C) 40.9
11 (CH2) 22.7
12 (CH2) 33.4
13 (C) 34.1
14 (CH2) 35.2
15 (CH) 147
16 (CH2) 110.8
17 (CH3) 24.6
18 (CH3) 26.4
19 (CH2) 65.7
20 (CH3) 19.6