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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H48O4Si/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/h17,21-23,28H,12-16H2,1-11H3/t17?,21-,22-,23-,26+/m0/s1

InChIKey: InChIKey=YMJJEHGNLDWNKV-MIFZUZNJSA-N

Formula: C26H48O4S1

Molecular Weight: 456.723994

Exact Mass: 456.327331

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) 39.4
2 (CH2) 18.8
3 (CH2) 43.8
4 (C) 33.8
5 (CH) 54.8
6 (CH) 73.6
7 (CH) 84.2
8 (C) 122.8
9 (C) 148.3
10 (C) 41.6
11 (CH2) 24.5
12 (CH2) 39.7
13 (CH) 69.1
16 (CH3) 23.7
17 (CH3) 15.2
18 (CH3) 36.5
19 (CH3) 22.2
20 (CH3) 21.7
7a (C) 173.5
7b (CH3) 21.5
13a (C) 26.1
13b (CH3) 18.3
13c (CH3) 18.3
13d (CH3) 4.2
13e (CH3) 4.5
13f (CH3) 4.5