Malonic acid bis[(13E)-8-hydroxylabd-13-en-15-yl] ester

Malonic acid bis[(13E)-8-hydroxylabd-13-en-15-yl] ester

Common Name: Malonic acid bis[(13E)-8-hydroxylabd-13-en-15-yl] ester

Synonyms: Malonic acid bis[(13E)-8-hydroxylabd-13-en-15-yl] ester

CAS Registry Number:

InChI: InChI=1S/C43H72O6/c1-30(13-15-34-40(7)23-11-21-38(3,4)32(40)17-25-42(34,9)46)19-27-48-36(44)29-37(45)49-28-20-31(2)14-16-35-41(8)24-12-22-39(5,6)33(41)18-26-43(35,10)47/h19-20,32-35,46-47H,11-18,21-29H2,1-10H3/b30-19+,31-20+/t32-,33-,34+,35+,40-,41-,42+,43+/m0/s1

InChIKey: InChIKey=RITJSQZCPIMGKI-GKUVYUGXSA-N

Formula: C43H72O6

Molecular Weight: 685.029807

Exact Mass: 684.53289

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Demetzos, C., Mitaku, S., Skaltsounis, A.L., Harvala, M.C.C., Libot, F. Phytochemistry (1994) 35, 979-81

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) 39.2
2 (CH2) 17.9
3 (CH2) 42.4
4 (C) 32.8
5 (CH) 55.6
6 (CH2) 20.1
7 (CH2) 44.1
8 (C) 73.6
9 (CH) 60.8
10 (C) 38.8
11 (CH2) 22.9
12 (CH2) 41.5
13 (C) 143.7
14 (CH) 117.1
15 (CH2) 62.1
16 (CH3) 16.2
17 (CH3) 22.9
18 (CH3) 32.9
19 (CH3) 21.1
20 (CH3) 15.1
1' (CH2) 39.2
2' (CH2) 17.9
3' (CH2) 42.4
4' (C) 32.8
5' (CH) 55.6
6' (CH2) 20.1
7' (CH2) 44.1
8' (C) 73.6
9' (CH) 60.8
10' (C) 38.8
11' (CH2) 22.9
12' (CH2) 41.5
13' (C) 143.7
14' (CH) 117.1
15' (CH2) 62.1
16' (CH3) 16.2
17' (CH3) 22.9
18' (CH3) 32.9
19' (CH3) 21.1
20' (CH3) 15.1
15a (C) 166.2
15b (CH2) 41.5
15'a (C) 166.2