Methyl-2b-acetoxy-9-epi-ent-labdan-8(17),13(E)-diene

Methyl-2b-acetoxy-9-epi-ent-labdan-8(17),13(E)-diene

Common Name: Methyl-2b-acetoxy-9-epi-ent-labdan-8(17),13(E)-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H36O4/c1-15(12-21(25)26-7)8-10-19-16(2)9-11-20-22(4,5)13-18(27-17(3)24)14-23(19,20)6/h12,18-20H,2,8-11,13-14H2,1,3-7H3/b15-12+/t18-,19+,20-,23+/m1/s1

InChIKey: InChIKey=PQJDWVGFAKSGGH-WOBJTPGFSA-N

Formula: C23H36O4

Molecular Weight: 376.530412

Exact Mass: 376.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garbarino, J.A., Chamy, M.C., Piovano, M., Espinoza, L., Belmonte, E. Phytochemistry (2004) 65, 903-8

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) 43.9
2 (CH) 68.5
3 (CH2) 46.6
4 (C) 34.8
5 (CH) 54.8
6 (CH2) 23.7
7 (CH2) 37.8
8 (C) 146.9
9 (CH) 55.9
10 (C) 40.8
11 (CH2) 21.6
12 (CH2) 39.5
13 (C) 160.6
14 (CH) 114.9
15 (C) 167.1
16 (CH3) 18.7
17 (CH2) 107.3
18 (CH3) 33.4
19 (CH3) 22.3
20 (CH3) 15
2b (C) 170.5
2c (CH3) 21.5
15b (CH3) 50.6