3α, 30-dihydroxylup-20(29)-en-27-oic acid

3α, 30-dihydroxylup-20(29)-en-27-oic acid

Common Name: 3α, 30-dihydroxylup-20(29)-en-27-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O4/c1-18(17-31)19-9-12-27(4)15-16-30(25(33)34)20(24(19)27)7-8-22-28(5)13-11-23(32)26(2,3)21(28)10-14-29(22,30)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23+,24+,27+,28-,29+,30+/m0/s1

InChIKey: InChIKey=CGATYQDJHUNDQC-CHVGUTEKSA-N

Formula: C30H48O4

Molecular Weight: 472.700853

Exact Mass: 472.35526

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yang, J., Chen, X.Q., Liu, X.X., Cao, Y.A., Lai, M.X., Wang, Q. Magn Reson Chem (2008) 46, 794-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) 34.3
2 (CH2) 26.6
3 (CH) 75.1
4 (C) 39.6
5 (CH) 49.7
6 (CH2) 18.8
7 (CH2) 38.2
8 (C) 41
9 (CH) 51.6
10 (C) 38.1
11 (CH2) 21.2
12 (CH2) 27.7
13 (CH) 38.4
14 (C) 60.5
15 (CH2) 25.8
16 (CH2) 38.1
17 (C) 43
18 (CH) 51.4
19 (CH) 44.4
20 (C) 155.9
21 (CH2) 31.8
22 (CH2) 40.3
23 (CH3) 29.1
24 (CH3) 22.7
25 (CH3) 17
26 (CH3) 17.6
27 (C) 178.3
28 (CH3) 18.6
29 (CH2) 106.7
30 (CH2) 64