6b-Hydroxybetulin

6b-Hydroxybetulin

Common Name: 6b-Hydroxybetulin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O3/c1-18(2)19-10-13-30(17-31)15-14-28(6)20(24(19)30)8-9-22-27(5)12-11-23(33)26(3,4)25(27)21(32)16-29(22,28)7/h19-25,31-33H,1,8-17H2,2-7H3/t19-,20+,21+,22+,23-,24+,25-,27+,28+,29+,30+/m0/s1

InChIKey: InChIKey=UIMQXVMTMZJGCO-CWSOLWDWSA-N

Formula: C30H50O3

Molecular Weight: 458.717329

Exact Mass: 458.375995

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nunez, M.J., Reyes, C.P., Jimenez, I.A., Moujir, L., Bazzocchi, I.L. J Nat Prod (2005) 68, 1018-21

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) 40.7
2 (CH2) 27.5
3 (CH) 79.1
4 (C) 39.6
5 (CH) 55.6
6 (CH) 68.9
7 (CH2) 42
8 (C) 40
9 (CH) 51
10 (C) 36.7
11 (CH2) 21
12 (CH2) 25.3
13 (CH) 36.4
14 (C) 42.9
15 (CH2) 27.1
16 (CH2) 33.6
17 (C) 47.7
18 (CH) 48.8
19 (CH) 47.7
20 (C) 150.4
21 (CH2) 29.7
22 (CH2) 29.1
23 (CH3) 27.6
24 (CH3) 16.9
25 (CH3) 17.7
26 (CH3) 16.9
27 (CH3) 15.1
28 (CH2) 60.4
29 (CH2) 109.7
30 (CH3) 19.1