(13Z)-6beta,7alpha,15-Triacetoxylabda-8,13-diene

(13Z)-6beta,7alpha,15-Triacetoxylabda-8,13-diene

Common Name: (13Z)-6beta,7alpha,15-Triacetoxylabda-8,13-diene

Synonyms: (13Z)-6beta,7alpha,15-Triacetoxylabda-8,13-diene

CAS Registry Number:

InChI: InChI=1S/C26H40O6/c1-16(12-15-30-18(3)27)10-11-21-17(2)22(31-19(4)28)23(32-20(5)29)24-25(6,7)13-9-14-26(21,24)8/h12,22-24H,9-11,13-15H2,1-8H3/b16-12-/t22-,23+,24-,26+/m0/s1

InChIKey: InChIKey=ZCSONGATRIIYBY-VYSAHZNKSA-N

Formula: C26H40O6

Molecular Weight: 448.593193

Exact Mass: 448.282489

NMR Solvent: C+C

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) 39.3
2 (CH2) 18.9
3 (CH2) 43
4 (C) 33.5
5 (CH) 49.2
6 (CH) 69.5
7 (CH) 73.5
8 (C) 121.6
9 (C) 147.6
10 (C) 39.4
11 (CH2) 26.9
12 (CH2) 31.4
13 (C) 144.1
14 (CH) 118.7
15 (CH2) 61.7
16 (CH3) 23.6
17 (CH3) 17.1
18 (CH3) 33.4
19 (CH3) 23.1
20 (CH3) 21.4
6a (C) 171.1
6b (CH3) 21.5
7a (C) 169.9
7b (CH3) 21
15a (C) 169.8
15b (CH3) 20.9