[(13R)-7alpha-Hydroperoxylabda-8,14-diene-13-yl]4-O-acetyl-6-deoxy-alpha-L-idopyranoside

[(13R)-7alpha-Hydroperoxylabda-8,14-diene-13-yl]4-O-acetyl-6-deoxy-alpha-L-idopyranoside

Common Name: [(13R)-7alpha-Hydroperoxylabda-8,14-diene-13-yl]4-O-acetyl-6-deoxy-alpha-L-idopyranoside

Synonyms: [(13R)-7alpha-Hydroperoxylabda-8,14-diene-13-yl]4-O-acetyl-6-deoxy-alpha-L-idopyranoside

CAS Registry Number:

InChI: InChI=1S/C28H46O8/c1-9-27(7,35-25-23(31)22(30)24(17(3)33-25)34-18(4)29)14-11-19-16(2)20(36-32)15-21-26(5,6)12-10-13-28(19,21)8/h9,17,20-25,30-32H,1,10-15H2,2-8H3/t17-,20+,21-,22+,23+,24+,25-,27-,28+/m0/s1

InChIKey: InChIKey=CYFQGASFWKNUEE-PEJODWCSSA-N

Formula: C28H46O8

Molecular Weight: 510.661119

Exact Mass: 510.319268

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Choi, S.Z., Kwon, H.C., Choi, S.U., Lee, K.R. J Nat Prod (2002) 65, 1102-6

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) 36.2
2 (CH2) 18.8
3 (CH2) 41.4
4 (C) 33
5 (CH) 45.6
6 (CH2) 22.9
7 (CH) 84.6
8 (C) 122.6
9 (C) 149.6
10 (C) 40.1
11 (CH2) 22.4
12 (CH2) 41
13 (C) 81.4
14 (CH) 140.6
15 (CH2) 117
16 (CH3) 21.7
17 (CH3) 17.3
18 (CH3) 32.9
19 (CH3) 21.5
20 (CH3) 18.4
1' (CH) 96.2
2' (CH) 68.4
3' (CH) 68.4
4' (CH) 72.8
5' (CH) 61.3
6' (CH3) 15.9
4'a (C) 169.4
4'b (CH3) 18.8