13R-hydroxy-14S,15-diacetoxy-7-labdien-17-oate

13R-hydroxy-14S,15-diacetoxy-7-labdien-17-oate

Common Name: 13R-hydroxy-14S,15-diacetoxy-7-labdien-17-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H40O7/c1-16(26)31-15-21(32-17(2)27)25(6,29)14-11-19-18(22(28)30-7)9-10-20-23(3,4)12-8-13-24(19,20)5/h9,19-21,29H,8,10-15H2,1-7H3/t19-,20-,21-,24+,25+/m0/s1

InChIKey: InChIKey=MOFCRRGHFIJGAZ-PMDWNULLSA-N

Formula: C25H40O7

Molecular Weight: 452.581862

Exact Mass: 452.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9

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) 39.3
2 (CH2) 18.6
3 (CH2) 42.1
4 (C) 33.1
5 (CH) 49.5
6 (CH2) 24.2
7 (CH) 138.9
8 (C) 134.7
9 (CH) 51.5
10 (C) 37.1
11 (CH2) 21.3
12 (CH2) 40.4
13 (C) 73.1
14 (CH) 76.6
15 (CH2) 63.3
16 (CH3) 22.5
17 (C) 169.5
18 (CH3) 32.8
19 (CH3) 21.8
20 (CH3) 14.2
14a (C) 170.7
14b (CH3) 21
15a (C) 170.5
15b (CH3) 20.8
17a (CH3) 51.5