Methyl-2a-acetoxy-3a,9b-dihydroxy-9-epi-labd-13(Z)-en-15-oate

Methyl-2a-acetoxy-3a,9b-dihydroxy-9-epi-labd-13(Z)-en-15-oate

Common Name: Methyl-2a-acetoxy-3a,9b-dihydroxy-9-epi-labd-13(Z)-en-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H38O6/c1-14(12-19(25)28-7)10-11-23(27)15(2)8-9-18-21(4,5)20(26)17(29-16(3)24)13-22(18,23)6/h12,15,17-18,20,26-27H,8-11,13H2,1-7H3/b14-12+/t15-,17-,18+,20-,22+,23-/m1/s1

InChIKey: InChIKey=PNFYIMUZUVHOIA-VDIRLFOTSA-N

Formula: C23H38O6

Molecular Weight: 410.545104

Exact Mass: 410.266839

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Chamy, M.C., Garbarino, J.A., Piovano, E., Lopez-Perez, J.L., Nicoletti, M., Gandolfo, R., Feliciano, A.S. Phytochemistry (1997) 45, 797-800

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) 22
2 (CH) 73.7
3 (CH) 76.8
4 (C) 40.9
5 (CH) 38.7
6 (CH2) 31.9
7 (CH2) 26.5
8 (CH) 36
9 (C) 77
10 (C) 39
11 (CH2) 36.8
12 (CH2) 27.5
13 (C) 161.8
14 (CH) 115.2
15 (C) 166.6
16 (CH3) 25.3
17 (CH3) 15.9
18 (CH3) 21.6
19 (CH3) 17.1
20 (CH3) 18.2
2a (C) 169.8
2b (CH3) 21.3
15a (CH3) 50.7