7β-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-6-one

7β-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-6-one

Common Name: 7β-Acetoxy-13-R/S-tert-butyldimethylsilyloxy-14,15-dinorlabd-8-en-6-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H46O4Si/c1-17(30-31(10,11)24(4,5)6)13-14-20-18(2)22(29-19(3)27)21(28)23-25(7,8)15-12-16-26(20,23)9/h17,22-23H,12-16H2,1-11H3/t17?,22-,23+,26-/m1/s1

InChIKey: InChIKey=AQDVZYZHXDUVTA-SHUVAURBSA-N

Formula: C26H46O4S1

Molecular Weight: 454.708112

Exact Mass: 454.311681

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) 39.5
2 (CH2) 18.7
3 (CH2) 42.4
4 (C) 32.5
5 (CH) 62.7
6 (C) 203.6
7 (CH) 77.9
8 (C) 124.1
9 (C) 147.8
10 (C) 46.7
11 (CH2) 24.6
12 (CH2) 39.8
13 (CH) 69
16 (CH3) 23.8
17 (CH3) 15.3
18 (CH3) 32.5
19 (CH3) 22.3
20 (CH3) 20.9
7a (C) 171
7b (CH3) 26.1
13a (C) 21.7
13b (CH3) 18.3
13c (CH3) 18.3
13d (CH3) 4.2
13e (CH3) 4.5
13f (CH3) 4.5