p-Formylphenyl 3b -hydroxyolean-12-en-28-oate

p-Formylphenyl 3b -hydroxyolean-12-en-28-oate

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)

Carbon NMR Peaks

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