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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H48O4Si/c1-17(30-31(10,11)24(4,5)6)13-14-20-18(2)21(28)22(29-19(3)27)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=SUPOSCIZKKIWLP-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) 39.6
2 (CH2) 18.7
3 (CH2) 43.6
4 (C) 33.3
5 (CH) 53
6 (CH) 78.6
7 (CH) 78.7
8 (C) 126.6
9 (C) 145
10 (C) 41.9
11 (CH2) 24.5
12 (CH2) 39.8
13 (CH) 69.1
16 (CH3) 23.8
17 (CH3) 15.3
18 (CH3) 36.2
19 (CH3) 22.3
20 (CH3) 22.1
6a (C) 172.8
6b (CH3) 26.1
13a (C) 22
13b (CH3) 18.3
13c (CH3) 18.3
13d (CH3) 4.2
13e (CH3) 4.5
13f (CH3) 4.5