13-0-3-D-Xylopyranosyl-ent-13-hydroxylabda-8(17),14-diene

13-0-3-D-Xylopyranosyl-ent-13-hydroxylabda-8(17),14-diene

Common Name: 13-0-3-D-Xylopyranosyl-ent-13-hydroxylabda-8(17),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H42O5/c1-7-24(5,30-22-21(28)20(27)18(26)15-29-22)14-11-17-16(2)9-10-19-23(3,4)12-8-13-25(17,19)6/h7,17-22,26-28H,1-2,8-15H2,3-6H3/t17-,18-,19-,20+,21-,22+,24-,25+/m1/s1

InChIKey: InChIKey=YWLGRHPRVPRHJD-BLVYHGARSA-N

Formula: C25H42O5

Molecular Weight: 422.598934

Exact Mass: 422.303224

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urzua, A., Tojo, E., Soto, J. Phytochemistry (1995) 38, 555-6

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
2 (CH2) 19.3
3 (CH2) 42.2
4 (C) 33.6
5 (CH) 55.6
6 (CH2) 24.4
7 (CH2) 38.3
8 (C) 148.8
9 (CH) 57.4
10 (C) 39.8
11 (CH2) 17.6
12 (CH2) 40.9
13 (C) 91.1
14 (CH) 142.2
15 (CH2) 116
16 (CH3) 22.5
17 (CH2) 106.4
18 (CH3) 21.7
19 (CH3) 33.5
20 (CH3) 14.4
1' (CH) 97.7
2' (CH) 72.8
3' (CH) 75.1
4' (CH) 69.7
5' (CH2) 64.2