(3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-α-L-arabinopyranoside

(3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-α-L-arabinopyranoside

Common Name: (3β,16α)-16-Hydroxy-30-oxo-13,28-epoxyoleanan-3-yl β-D-xylopyranosyl-(1->2)-β-D-glucopyranosyl-(1->4)-α-L-arabinopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C46H74O17/c1-40(2)25-7-11-43(5)26(8-12-46-27-15-41(3,20-48)13-14-45(27,21-59-46)28(50)16-44(43,46)6)42(25,4)10-9-29(40)62-37-35(56)32(53)24(19-58-37)61-39-36(33(54)31(52)23(17-47)60-39)63-38-34(55)30(51)22(49)18-57-38/h20,22-39,47,49-56H,7-19,21H2,1-6H3/t22-,23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,41+,42+,43-,44+,45-,46+/m1/s1

InChIKey: InChIKey=JFAKXPCWZPQXLP-KASLOCEDSA-N

Formula: C46H74O17

Molecular Weight: 899.071351

Exact Mass: 898.492601

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Lavaud, C., Massiot, G., Barrera, J.B., Moretti, C., Lemenolivier, L. Phytochemistry (1994) 37, 1671-6

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) 37.8
2 (CH2) 27.2
3 (CH) 90.8
4 (C) 40.3
5 (CH) 56.9
6 (CH2) 18.7
7 (CH2) 35.1
8 (C) 43.4
9 (CH) 54
10 (C) 40.2
11 (CH2) 20
12 (CH2) 33.1
13 (C) 88.2
14 (C) 45.3
15 (CH2) 37
16 (CH) 77.7
17 (C) 44.7
18 (CH) 51.3
19 (CH2) 34
20 (C) 49.3
21 (CH2) 30.7
22 (CH2) 32.7
23 (CH3) 28.4
24 (CH3) 16.8
25 (CH3) 16.8
26 (CH3) 18.8
27 (CH3) 20.1
28 (CH2) 78.4
29 (CH3) 24.3
30 (CH) 206.5
1' (CH) 107.4
2' (CH) 74
3' (CH) 74.5
4' (CH) 81.3
5' (CH2) 66.8
1'' (CH) 105.2
2'' (CH) 86
3'' (CH) 77.4
4'' (CH) 71
5'' (CH) 77.7
6'' (CH2) 62.5
1''' (CH) 107.8
2''' (CH) 76.1
3''' (CH) 77.4
4''' (CH) 70.8
5''' (CH2) 67.1