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)
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 |