(1S,4S,5R,9S,10S,13S)-5,9,13-Trimethyl-14-oxo-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylic acid

(1S,4S,5R,9S,10S,13S)-5,9,13-Trimethyl-14-oxo-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylic acid

Common Name: (1S,4S,5R,9S,10S,13S)-5,9,13-Trimethyl-14-oxo-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-17-9-5-14-18(2)7-4-8-19(3,15(21)22)13(18)6-10-20(14,11-17)12-24-16(17)23/h13-14H,4-12H2,1-3H3,(H,21,22)/t13-,14-,17-,18+,19+,20+/m0/s1

InChIKey: InChIKey=FUMGUTQYADOMBS-XYTVEFIISA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chou, B.H., Yang, L.M., Chang, S.F., Hsu, F.L., Lo, C.H., Liaw, J.H., Liu, P.C., Lin, S.J. J Nat Prod (2008) 71, 602-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) 40.1
2 (CH2) 19.6
3 (CH2) 38.5
4 (C) 43.8
5 (CH) 57.3
6 (CH2) 21
7 (CH2) 40.6
8 (C) 34.8
9 (CH) 56
10 (C) 38.2
11 (CH2) 20.9
12 (CH2) 39.9
13 (C) 40.2
14 (CH2) 47.9
15 (CH2) 78.1
16 (C) 176.1
17 (CH3) 25.4
18 (CH3) 29.2
19 (C) 179.7
20 (CH3) 13.8