ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-3′-Oacetyl-α-L-rhamnopyranosyl]-19-O-α-L-rhamnopyranoside

ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-3′-Oacetyl-α-L-rhamnopyranosyl]-19-O-α-L-rhamnopyranoside

Common Name: ent-14-Labden-8β-ol 13α-O-[β-D-quinovopyranosyl-(1f2)-3′-Oacetyl-α-L-rhamnopyranosyl]-19-O-α-L-rhamnopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H68O16/c1-10-38(7,56-36-33(32(54-22(5)41)27(44)21(4)53-36)55-35-31(48)29(46)26(43)20(3)52-35)16-12-24-39(8)15-11-14-37(6,23(39)13-17-40(24,9)49)18-50-34-30(47)28(45)25(42)19(2)51-34/h10,19-21,23-36,42-49H,1,11-18H2,2-9H3/t19-,20+,21-,23+,24-,25-,26+,27-,28+,29-,30+,31+,32+,33+,34+,35-,36-,37-,38-,39+,40+/m0/s1

InChIKey: InChIKey=ZYBWTABRXPTYQJ-XTRGIUBBSA-N

Formula: C40H68O16

Molecular Weight: 804.959886

Exact Mass: 804.450736

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) 58.1
6 (CH2) 19.8
7 (CH2) 43.5
8 (C) 73.9
9 (CH) 60.9
10 (C) 40.4
11 (CH2) 20.4
12 (CH2) 47.3
13 (C) 81.2
14 (CH) 143.5
15 (CH2) 116.2
16 (CH3) 22.9
17 (CH3) 30.9
18 (CH3) 28.3
19 (CH2) 71.5
20 (CH3) 16.4
1' (CH) 96.2
2' (CH) 79.6
3' (CH) 75.1
4' (CH) 71.5
5' (CH) 69.5
6' (CH3) 18
1'' (CH) 106.3
2'' (CH) 75.3
3'' (CH) 77.6
4'' (CH) 76.9
5'' (CH) 73.2
6'' (CH3) 18.2
1''' (CH) 101.8
2''' (CH) 72.4
3''' (CH) 72.7
4''' (CH) 73.9
5''' (CH) 69.8
6''' (CH3) 18
3'a (C) 172.6
3'b (CH3) 21