Paeonenoide B

Paeonenoide B

Common Name: Paeonenoide B

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O3/c1-17-8-13-28(24(30)31)15-14-26(4)20(21(28)16-17)6-7-23-25(3)11-10-22(29)18(2)19(25)9-12-27(23,26)5/h6,19,21-23,29H,1-2,7-16H2,3-5H3,(H,30,31)/t19-,21-,22-,23+,25-,26+,27+,28-/m0/s1

InChIKey: InChIKey=PFOJFEVLTKXQKE-LEUZZWHASA-N

Formula: C28H40O3

Molecular Weight: 424.61645

Exact Mass: 424.297745

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Wu, S.H., Yang, S.M., Wu, D.G., Cheng, Y.W., Peng, Q. Helv Chim Acta (2005) 88, 259-65

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) 38.4
2 (CH2) 28.4
3 (CH) 73.3
4 (C) 154.8
5 (CH) 51
6 (CH2) 17.4
7 (CH2) 32.7
8 (C) 39.2
9 (CH) 48.1
10 (C) 36.8
11 (CH2) 23.7
12 (CH) 123.1
13 (C) 144.2
14 (C) 42.1
15 (CH2) 28.3
16 (CH2) 23.9
17 (C) 47.2
18 (CH) 47.5
19 (CH2) 41.6
20 (C) 149.2
21 (CH2) 38.4
22 (CH2) 30.5
23 (CH2) 102.9
25 (CH3) 16.1
26 (CH3) 17.4
27 (CH3) 26.3
28 (C) 179.6
29 (CH2) 107.2