(8alpha,10beta)-15,16-Epoxy-16-oxo-10-demethyl-9,5-(carbonyloxy)-3,4-secolabda-4(18),13-dien-3-oic acid methyl ester

(8alpha,10beta)-15,16-Epoxy-16-oxo-10-demethyl-9,5-(carbonyloxy)-3,4-secolabda-4(18),13-dien-3-oic acid methyl ester

Common Name: (8alpha,10beta)-15,16-Epoxy-16-oxo-10-demethyl-9,5-(carbonyloxy)-3,4-secolabda-4(18),13-dien-3-oic acid methyl ester

Synonyms: (8alpha,10beta)-15,16-Epoxy-16-oxo-10-demethyl-9,5-(carbonyloxy)-3,4-secolabda-4(18),13-dien-3-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C21H28O6/c1-13(2)21-11-7-14(3)20(19(24)27-21,16(21)5-6-17(22)25-4)10-8-15-9-12-26-18(15)23/h9,14,16H,1,5-8,10-12H2,2-4H3/t14-,16-,20-,21-/m1/s1

InChIKey: InChIKey=UNZYHCJVLIBLEH-BVIFKLCGSA-N

Formula: C21H28O6

Molecular Weight: 376.444225

Exact Mass: 376.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Toyota, M., Nakamura, I., Takaoka, S., Kan, Y., Asakawa, Y. Phytochemistry (1996) 41, 575-80

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) 21.4
2 (CH2) 31.2
3 (C) 173.4
4 (C) 141.7
5 (C) 88.5
6 (CH2) 34.2
7 (CH2) 28.9
8 (CH) 34.7
9 (C) 53.9
10 (CH) 50.2
11 (CH2) 24.8
12 (CH2) 19.3
13 (C) 133.4
14 (CH) 144.4
15 (CH2) 70.4
16 (C) 174
17 (CH3) 16.2
18 (CH2) 112
19 (CH3) 19.6
20 (C) 177.1
3a (CH3) 51.7