Labda-8,14-diene-6beta,7beta,13-triol 6,7-diacetate

Labda-8,14-diene-6beta,7beta,13-triol 6,7-diacetate

Common Name: Labda-8,14-diene-6beta,7beta,13-triol 6,7-diacetate

Synonyms: Labda-8,14-diene-6beta,7beta,13-triol 6,7-diacetate

CAS Registry Number:

InChI: InChI=1S/C24H38O5/c1-9-23(7,27)14-11-18-15(2)19(28-16(3)25)20(29-17(4)26)21-22(5,6)12-10-13-24(18,21)8/h9,19-21,27H,1,10-14H2,2-8H3/t19-,20-,21+,23+,24-/m1/s1

InChIKey: InChIKey=JVKGUKYXQMTNOK-DXSQJRSRSA-N

Formula: C24H38O5

Molecular Weight: 406.556435

Exact Mass: 406.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marcos, I.S., Castaneda, L., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2008) 64, 8815-29

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) 40.5
2 (CH2) 19.1
3 (CH2) 43
4 (C) 33.6
5 (CH) 51.5
6 (CH) 66.6
7 (CH) 72.9
8 (C) 122.1
9 (C) 145.2
10 (C) 39.9
11 (CH2) 22.4
12 (CH2) 41.9
13 (C) 73.7
14 (CH) 144.8
15 (CH2) 112.4
16 (CH3) 28.2
17 (CH3) 14.5
18 (CH3) 33.9
19 (CH3) 23.3
20 (CH3) 21.1
6a (C) 170.9
6b (CH3) 21.6
7a (C) 170.9
7b (CH3) 21.6