2alpha,3beta-Dihydroxy-23-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]oleana-12-ene-28-oic acid

2alpha,3beta-Dihydroxy-23-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]oleana-12-ene-28-oic acid

Common Name: 2alpha,3beta-Dihydroxy-23-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]oleana-12-ene-28-oic acid

Synonyms: 2alpha,3beta-Dihydroxy-23-[[(E)-3-(4-hydroxyphenyl)propenoyl]oxy]oleana-12-ene-28-oic acid

CAS Registry Number:

InChI: InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)26(27(39)21-34)12-13-30-35(3)22-28(41)32(43)36(4,29(35)15-16-38(30,37)6)23-46-31(42)14-9-24-7-10-25(40)11-8-24/h7-12,14,27-30,32,40-41,43H,13,15-23H2,1-6H3,(H,44,45)/b14-9+/t27-,28+,29+,30+,32-,35-,36-,37+,38+,39-/m0/s1

InChIKey: InChIKey=FWUYLMWSIUOLQP-YTYGKHDWSA-N

Formula: C39H54O7

Molecular Weight: 634.843335

Exact Mass: 634.386954

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Gu, J.Q., Park, E.J., Luyengi, L., Hawthorne, M.E., Mehta, R.G., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. Phytochemistry (2001) 58, 121-7

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) 47.8
2 (CH) 68.4
3 (CH) 77.4
4 (C) 43.2
5 (CH) 48.5
6 (CH2) 18.7
7 (CH2) 33.1
8 (C) 39.9
9 (CH) 48
10 (C) 38.3
11 (CH2) 24
12 (CH) 122.4
13 (C) 144.9
14 (C) 42.2
15 (CH2) 28.2
16 (CH2) 23.6
17 (C) 46.6
18 (CH) 42
19 (CH2) 46.3
20 (C) 30.9
21 (CH2) 34.2
22 (CH2) 33.2
23 (CH2) 66.5
24 (CH3) 14.1
25 (CH3) 17.3
26 (CH3) 17.5
27 (CH3) 26
28 (C) 180.2
29 (CH3) 33.2
30 (CH3) 23.8
23a (C) 167.4
23b (CH) 115.3
23c (CH) 145.1
23d (C) 126.1
23e (CH) 130.7
23f (CH) 116.9
23g (C) 161.5
23h (CH) 116.9
23i (CH) 130.7