ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-r-Lrhamnopyranosyl]-19-O-α-L-rhamnopyranoside

ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-r-Lrhamnopyranosyl]-19-O-α-L-rhamnopyranoside

Common Name: ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-r-Lrhamnopyranosyl]-19-O-α-L-rhamnopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C38H66O15/c1-9-36(6,53-34-31(28(44)25(41)20(4)51-34)52-33-30(46)27(43)24(40)19(3)50-33)15-11-22-37(7)14-10-13-35(5,21(37)12-16-38(22,8)47)17-48-32-29(45)26(42)23(39)18(2)49-32/h9,18-34,39-47H,1,10-17H2,2-8H3/t18-,19+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+/m0/s1

InChIKey: InChIKey=LCZAHNOVJJVRFA-FCBCXAOJSA-N

Formula: C38H66O15

Molecular Weight: 762.923128

Exact Mass: 762.440171

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Socolsky, C., Asakawa, Y., Bardon, A. J Nat Prod (2007) 70, 1837-45

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) 40.7
2 (CH2) 19.1
3 (CH2) 37.8
4 (C) 38.6
5 (CH) 58
6 (CH2) 19.8
7 (CH2) 43.5
8 (C) 73.8
9 (CH) 60.9
10 (C) 40.3
11 (CH2) 20.4
12 (CH2) 47.2
13 (C) 81.1
14 (CH) 143.8
15 (CH2) 116
16 (CH3) 22.8
17 (CH3) 30.9
18 (CH3) 28.3
19 (CH2) 71.5
20 (CH3) 16.4
1' (CH) 96
2' (CH) 83.6
3' (CH) 72.3
4' (CH) 74.6
5' (CH) 69.5
6' (CH3) 18
1'' (CH) 106.6
2'' (CH) 75.6
3'' (CH) 77.6
4'' (CH) 76.8
5'' (CH) 73.3
6'' (CH3) 18.2
1''' (CH) 101.8
2''' (CH) 72.4
3''' (CH) 72.6
4''' (CH) 73.9
5''' (CH) 69.8
6''' (CH3) 18