ent-14(S),15-Diacetoxy-8a,13(R)epoxylabda-3,12-dione

ent-14(S),15-Diacetoxy-8a,13(R)epoxylabda-3,12-dione

Common Name: ent-14(S),15-Diacetoxy-8a,13(R)epoxylabda-3,12-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H36O7/c1-14(25)29-13-20(30-15(2)26)24(7)19(28)12-17-22(5)10-9-18(27)21(3,4)16(22)8-11-23(17,6)31-24/h16-17,20H,8-13H2,1-7H3/t16-,17+,20+,22-,23+,24-/m1/s1

InChIKey: InChIKey=VSLOMMZUDGDXKI-SWUYAUBISA-N

Formula: C24H36O7

Molecular Weight: 436.539363

Exact Mass: 436.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Jimenez, M.B., Martinez, A., Parra, A., Rivas, F., Arias, J.M. Phytochemistry (1994) 37, 741-7

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 31.4
2 (CH2) 33.7
3 (C) 216.1
4 (C) 41.4
5 (CH) 54.6
6 (CH2) 20.9
7 (CH2) 41.6
8 (C) 75.6
9 (CH) 52.7
10 (C) 36.6
11 (CH2) 33.8
12 (C) 209.9
13 (C) 80.4
14 (CH) 72.7
15 (CH2) 63
16 (CH3) 23
17 (CH3) 22.6
18 (CH3) 26.6
19 (CH3) 20.9
20 (CH3) 14.5
14a (C) 170.6
14b (CH3) 21.1
15a (C) 170.9
15b (CH3) 21.3