Common Name: p-Formylphenyl 3b -hydroxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H52O4/c1-32(2)18-20-37(31(40)41-25-10-8-24(23-38)9-11-25)21-19-35(6)26(27(37)22-32)12-13-29-34(5)16-15-30(39)33(3,4)28(34)14-17-36(29,35)7/h8-12,23,27-30,39H,13-22H2,1-7H3/t27-,28-,29+,30-,34-,35+,36+,37-/m0/s1
InChIKey: InChIKey=CQHCJXYZMUYPIT-GBVPUKILSA-N
Formula: C37H52O4
Molecular Weight: 560.807767
Exact Mass: 560.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Aslam, H., Ali, S.T., Begum, S., Khatoon, N. Chem Pharm Bull (2007) 55, 516-9
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) | 38.3 |
2 (CH2) | 28 |
3 (CH) | 79.2 |
4 (C) | 38.5 |
5 (CH) | 55.1 |
6 (CH2) | 18.2 |
7 (CH2) | 32.9 |
8 (C) | 39.1 |
9 (CH) | 47.5 |
10 (C) | 36.9 |
11 (CH2) | 22.8 |
12 (CH) | 125.8 |
13 (C) | 143.5 |
14 (C) | 41.5 |
15 (CH2) | 27.1 |
16 (CH2) | 23.2 |
17 (C) | 46.3 |
18 (CH) | 42 |
19 (CH2) | 45.8 |
20 (C) | 31 |
21 (CH2) | 36.7 |
22 (CH2) | 34 |
23 (CH3) | 28.1 |
24 (CH3) | 15.5 |
25 (CH3) | 15.4 |
26 (CH3) | 17 |
27 (CH3) | 23.5 |
28 (C) | 170.2 |
29 (CH3) | 16.9 |
30 (CH3) | 21.1 |
28a (C) | 161.4 |
28b (CH) | 115.9 |
28c (CH) | 132.2 |
28d (C) | 137.9 |
28e (CH) | 132.2 |
28f (CH) | 115.9 |
28da (CH) | 190.8 |