6,8,11,13-Abietatetrene-3beta,12-diol

6,8,11,13-Abietatetrene-3beta,12-diol

Common Name: 6,8,11,13-Abietatetrene-3beta,12-diol

Synonyms: 6,8,11,13-Abietatetrene-3beta,12-diol

CAS Registry Number:

InChI: InChI=1S/C20H28O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h6-7,10-12,17-18,21-22H,8-9H2,1-5H3/t17-,18-,20+/m0/s1

InChIKey: InChIKey=UEGVPAMXTLMAFY-CMKODMSKSA-N

Formula: C20H28O2

Molecular Weight: 300.435869

Exact Mass: 300.20893

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bai, J., Ito, N., Sakai, J., Kitabatake, M., Fujisawa, H., Bai, L., Dai, J., Zhang, S., Hirose, K., Tomida, A., Tsuruo, T., Ando, M. J Nat Prod (2005) 68, 497-501

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) 34.2
2 (CH2) 27.7
3 (CH) 78.7
4 (C) 38.3
5 (CH) 50.3
6 (CH) 126.5
7 (CH) 127.9
8 (C) 126.1
9 (C) 146.5
10 (C) 37.5
11 (CH) 109.5
12 (C) 152.3
13 (C) 131.2
14 (CH) 124.6
15 (CH) 26.7
16 (CH3) 22.8
17 (CH3) 22.4
18 (CH3) 27.8
19 (CH3) 16.5
20 (CH3) 20.2