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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H36O5/c1-13(11-17(23)26-6)9-10-21(25)14(2)7-8-16-19(3,4)18(24)15(22)12-20(16,21)5/h11,14-16,18,22,24-25H,7-10,12H2,1-6H3/b13-11+/t14-,15-,16+,18-,20+,21-/m1/s1

InChIKey: InChIKey=HLWQPWKHHFLJCJ-UNVYWAGRSA-N

Formula: C21H36O5

Molecular Weight: 368.508346

Exact Mass: 368.256274

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) 25.8
2 (CH) 69.8
3 (CH) 78.6
4 (C) 41
5 (CH) 38.9
6 (CH2) 32.4
7 (CH2) 26.8
8 (CH) 36.3
9 (C) 77.3
10 (C) 39
11 (CH2) 37
12 (CH2) 27.6
13 (C) 161.3
14 (CH) 115.7
15 (C) 166.9
16 (CH3) 25.2
17 (CH3) 16.1
18 (CH3) 21.3
19 (CH3) 17.2
20 (CH3) 18.3
15a (CH3) 50.8