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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C19H18O4/c1-10(2)16-8-12-13(18(22)23-16)7-11-5-6-17(21)19(3,4)14(11)9-15(12)20/h5-10H,1-4H3

InChIKey: InChIKey=OCLGUJIAXLMPLM-UHFFFAOYSA-N

Formula: C19H18O4

Molecular Weight: 310.344535

Exact Mass: 310.120509

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) 146.4
2 (CH) 125.5
3 (C) 199.9
4 (C) 50.8
5 (C) 154.8
6 (CH) 134.3
7 (C) 184.4
8 (C) 121.3
9 (C) 134.9
10 (C) 148.3
11 (C) 163.5
13 (C) 171.6
14 (CH) 99.8
15 (CH) 33.2
16 (CH3) 20
17 (CH3) 20
18 (CH3) 27.3
19 (CH3) 27.8
20 (CH) 134.7