7α-Senecioyl-3-epi-betulinic acid

7α-Senecioyl-3-epi-betulinic acid

Common Name: 7α-Senecioyl-3-epi-betulinic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H54O5/c1-20(2)18-28(37)40-27-19-25-31(5,6)26(36)13-14-32(25,7)24-11-10-23-29-22(21(3)4)12-15-35(29,30(38)39)17-16-33(23,8)34(24,27)9/h18,22-27,29,36H,3,10-17,19H2,1-2,4-9H3,(H,38,39)/t22-,23+,24+,25-,26+,27-,29+,32+,33+,34-,35-/m0/s1

InChIKey: InChIKey=HDZWXDQALVAKBW-CDPHGFTCSA-N

Formula: C35H54O5

Molecular Weight: 554.801582

Exact Mass: 554.397125

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Di, Y.T., He, H.P., Liu, H.Y., Yi, P., Zhang, Z., Ren, Y.L., Wang, J.S., Sun, Q.Y., Yang, F.M., Fang, X., Li, S.L., Zhu, H.J., Hao, X.J. J Nat Prod (2005) 68, 1352-5

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
2 (CH2) 26.2
3 (CH) 75
4 (C) 38.1
5 (CH) 46.4
6 (CH2) 26.1
7 (CH) 76.7
8 (C) 46.3
9 (CH) 51.2
10 (C) 37.8
11 (CH2) 20.8
12 (CH2) 26.5
13 (CH) 39.1
14 (C) 44.4
15 (CH2) 33
16 (CH2) 33.4
17 (C) 56.3
18 (CH) 49.6
19 (CH) 48
20 (C) 151.4
21 (CH2) 31.2
22 (CH2) 37.7
23 (CH3) 29
24 (CH3) 22.4
25 (CH3) 16.1
26 (CH3) 12.1
27 (CH3) 15.1
28 (C) 179
29 (CH2) 109.9
30 (CH3) 19.5
7a (C) 166.3
7b (CH) 117.6
7c (C) 156.4
7d (CH3) 27
7ca (CH3) 20.2