Methyl-2a,3ca-diacetoxy-9b-hydroxylabd-13(E)-en-15-oate

Methyl-2a,3ca-diacetoxy-9b-hydroxylabd-13(E)-en-15-oate

Common Name: Methyl-2a,3ca-diacetoxy-9b-hydroxylabd-13(E)-en-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O7/c1-15(13-21(28)30-8)11-12-25(29)16(2)9-10-20-23(5,6)22(32-18(4)27)19(31-17(3)26)14-24(20,25)7/h13,16,19-20,22,29H,9-12,14H2,1-8H3/b15-13-/t16-,19-,20+,22-,24+,25+/m1/s1

InChIKey: InChIKey=ZUSRWZJFRBGQSP-IBAMPJPPSA-N

Formula: C25H40O7

Molecular Weight: 452.581862

Exact Mass: 452.277404

NMR Solvent: CDCl3

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) 22.8
2 (CH) 70.8
3 (CH) 75.8
4 (C) 41.2
5 (CH) 38.8
6 (CH2) 31.5
7 (CH2) 26.5
8 (CH) 36
9 (C) 76.7
10 (C) 38.8
11 (CH2) 36.8
12 (CH2) 34.5
13 (C) 161.2
14 (CH) 115.1
15 (C) 167.3
16 (CH3) 19.1
17 (CH3) 15.9
18 (CH3) 21.3
19 (CH3) 17.1
20 (CH3) 18.3
2a (C) 170.4
2b (CH3) 21.1
3a (C) 170
3b (CH3) 21.3
15a (CH3) 50.7