(13R)-ent-6a,18-diacetoxy-8a,13;14c,15-diepoxylabdane

(13R)-ent-6a,18-diacetoxy-8a,13;14c,15-diepoxylabdane

Common Name: (13R)-ent-6a,18-diacetoxy-8a,13;14c,15-diepoxylabdane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H38O6/c1-15(25)28-14-21(3)9-7-10-22(4)18-8-11-23(5,19-13-27-19)30-24(18,6)12-17(20(21)22)29-16(2)26/h17-20H,7-14H2,1-6H3/t17-,18+,19?,20-,21-,22+,23-,24+/m1/s1

InChIKey: InChIKey=LCHSFHWPDBRPNB-BIHQLRGESA-N

Formula: C24H38O6

Molecular Weight: 422.55584

Exact Mass: 422.266839

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Gutierrez, J.J., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (1997) 45, 283-91

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) 38.6
2 (CH2) 17.5
3 (CH2) 37
4 (C) 37.6
5 (CH) 52.3
6 (CH) 70.6
7 (CH2) 49.3
8 (C) 74.2
9 (CH) 57.3
10 (C) 36.5
11 (CH2) 16.8
12 (CH2) 31.8
13 (C) 72
14 (CH) 58.8
15 (CH2) 46
16 (CH3) 28.6
17 (CH3) 23.9
18 (CH2) 74.3
19 (CH3) 17.8
20 (CH3) 17.3
6a (C) 171.3
6b (CH3) 21.7
18a (C) 170.3
18b (CH3) 21.1