3alpha-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-7,11,12-trione

3alpha-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-7,11,12-trione

Common Name: 3alpha-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-7,11,12-trione

Synonyms: 3alpha-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-7,11,12-trione

CAS Registry Number:

InChI: InChI=1S/C20H20O4/c1-10(2)12-8-13-14(19(24)18(12)23)7-11-5-6-17(22)20(3,4)15(11)9-16(13)21/h5-10,17,22H,1-4H3/t17-/m1/s1

InChIKey: InChIKey=KFQHZZINOYUPEI-QGZVFWFLSA-N

Formula: C20H20O4

Molecular Weight: 324.371153

Exact Mass: 324.136159

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 : Abeo-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 (CH) 132.6
2 (CH) 133.6
3 (CH) 73.2
4 (C) 43.9
5 (C) 153.6
6 (CH) 141.8
7 (C) 180.7
8 (C) 150.3
9 (C) 130
10 (C) 141.4
11 (C) 199.8
12 (C) 199.8
13 (C) 144.6
14 (CH) 141.8
15 (CH) 25.3
16 (CH3) 21.4
17 (CH3) 21.3
18 (CH3) 23.9
19 (CH3) 27.8
20 (CH) 125.2