Labd-7-ene-15,20-diol diacetate

Labd-7-ene-15,20-diol diacetate

Common Name: Labd-7-ene-15,20-diol diacetate

Synonyms: Labd-7-ene-15,20-diol diacetate

CAS Registry Number:

InChI: InChI=1S/C24H40O4/c1-17(12-15-27-18(2)25)8-10-21-20(16-28-19(3)26)9-11-22-23(4,5)13-7-14-24(21,22)6/h9,17,21-22H,7-8,10-16H2,1-6H3/t17-,21-,22-,24+/m0/s1

InChIKey: InChIKey=ZAKJTZJJYMUSBB-WLZNGNGHSA-N

Formula: C24H40O4

Molecular Weight: 392.572911

Exact Mass: 392.29266

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) 39.2
2 (CH2) 18.8
3 (CH2) 42.3
4 (C) 33
5 (CH) 48.9
6 (CH2) 23.8
7 (CH) 128.7
8 (C) 134.3
9 (CH) 52.8
10 (C) 36.9
11 (CH2) 23.8
12 (CH2) 38.9
13 (CH) 30.7
14 (CH2) 35.4
15 (CH2) 62.9
16 (CH3) 19.6
17 (CH2) 67.7
18 (CH3) 33.1
19 (CH3) 21.8
20 (CH3) 13.6
15a (C) 171.1
15b (CH3) 21.1
17a (C) 170.7
17b (CH3) 20.9