Nerolidol-3-O-α-L-rhamnopyranosyl(1-4)-α-L-rhamnopyranosyl(1-2)-[α-L-rhamnopyranosyl(1-6)]-β-D-glucopyranoside

Nerolidol-3-O-α-L-rhamnopyranosyl(1-4)-α-L-rhamnopyranosyl(1-2)-[α-L-rhamnopyranosyl(1-6)]-β-D-glucopyranoside

Common Name: Nerolidol-3-O-α-L-rhamnopyranosyl(1-4)-α-L-rhamnopyranosyl(1-2)-[α-L-rhamnopyranosyl(1-6)]-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14-/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39?/m0/s1

InChIKey: InChIKey=RTDSIIMUYUALQO-ZEKYDTLHSA-N

Formula: C39H66O18

Molecular Weight: 822.932078

Exact Mass: 822.424915

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - J., C., L., L.W., L., W.J., R., R.B., Q., Z.H. Phytomedicine (2008) 15, 98-102

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) 114.9
2 (CH) 143
3 (C) 79.3
4 (CH2) 40.7
5 (CH2) 25.4
6 (CH) 124.1
7 (C) 134.1
8 (CH2) 40.1
9 (CH2) 26.2
10 (CH) 124.2
11 (C) 130.3
12 (CH3) 21.7
13 (CH3) 18
14 (CH3) 15.7
15 (CH3) 21.9
1' (CH) 96.3
2' (CH) 79.3
3' (CH) 70.4
4' (CH) 75.6
5' (CH) 75
6' (CH2) 68.6
1'' (CH) 101.4
2'' (CH) 70.6
3'' (CH) 70.5
4'' (CH) 78
5'' (CH) 68.2
6'' (CH3) 17.8
1''' (CH) 99.4
2''' (CH) 70.6
3''' (CH) 71.1
4''' (CH) 75
5''' (CH) 69.8
6''' (CH3) 17.6
1'''' (CH) 100.7
2'''' (CH) 70.7
3'''' (CH) 70.6
4'''' (CH) 74.5
5'''' (CH) 70.4
6'''' (CH3) 17.4