ent-Sclareol 13-O-b-D-xylopyranoside

ent-Sclareol 13-O-b-D-xylopyranoside

Common Name: ent-Sclareol 13-O-b-D-xylopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H44O6/c1-7-23(4,31-21-20(28)19(27)16(26)15-30-21)13-9-18-24(5)12-8-11-22(2,3)17(24)10-14-25(18,6)29/h7,16-21,26-29H,1,8-15H2,2-6H3/t16-,17-,18+,19+,20-,21+,23-,24-,25+/m1/s1

InChIKey: InChIKey=IWSLLWVEHDTIGC-SLSCWANQSA-N

Formula: C25H44O6

Molecular Weight: 440.61422

Exact Mass: 440.313789

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Torrenegra, R., Robles, J., Waibel, R., Lowel, M., Achenbach, H. Phytochemistry (1994) 35, 195-9

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) 39.7
2 (CH2) 18.4
3 (CH2) 41.7
4 (C) 33.2
5 (CH) 56.1
6 (CH2) 20.3
7 (CH2) 43.4
8 (C) 75.1
9 (CH) 62.1
10 (C) 39
11 (CH2) 19.2
12 (CH2) 41.9
13 (C) 80.3
14 (CH) 143.4
15 (CH2) 114.4
16 (CH3) 23.6
17 (CH3) 24.3
18 (CH3) 33.3
19 (CH3) 21.4
20 (CH3) 15.6
1' (CH) 97.8
2' (CH) 73.1
3' (CH) 76.4
4' (CH) 69.7
5' (CH2) 64.7