Common Name: 3-oxo-15 α,16 α,21 β,22 α,28-pentahydroxy-Delta(12)-oleanane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,17-19,21-24,31,33-36H,9-15H2,1-7H3/t17-,18-,19+,21-,22-,23-,24+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=QIALAZVLXLEVEA-OSQMWACDSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Dellagreca, M., Fiorentino, A., Monaco, P., Previtera, L. Phytochemistry (1994) 35, 201-4
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) | 39.8 |
2 (CH2) | 34.7 |
3 (C) | 217.6 |
4 (C) | 46.7 |
5 (CH) | 55.4 |
6 (CH2) | 20.3 |
7 (CH2) | 36.6 |
8 (C) | 41.6 |
9 (CH) | 47.8 |
10 (C) | 37.2 |
11 (CH2) | 24.3 |
12 (CH) | 124.6 |
13 (C) | 144.8 |
14 (C) | 48.4 |
15 (CH) | 67.3 |
16 (CH) | 72.6 |
17 (C) | 47.6 |
18 (CH) | 42.2 |
19 (CH2) | 47.9 |
20 (C) | 36.2 |
21 (CH) | 78.6 |
22 (CH) | 76.8 |
23 (CH3) | 26.9 |
24 (CH3) | 21.8 |
25 (CH3) | 15.6 |
26 (CH3) | 17.6 |
27 (CH3) | 21.1 |
28 (CH2) | 67.6 |
29 (CH3) | 30.7 |
30 (CH3) | 19.6 |