3-oxo-11β,16β-dihydroxy-urs-12-ene

3-oxo-11β,16β-dihydroxy-urs-12-ene

Common Name: 3-oxo-11β,16β-dihydroxy-urs-12-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O3/c1-17-9-12-28(6)23(33)16-30(8)19(24(28)18(17)2)15-20(31)25-27(5)13-11-22(32)26(3,4)21(27)10-14-29(25,30)7/h15,17-18,20-21,23-25,31,33H,9-14,16H2,1-8H3/t17-,18+,20+,21+,23+,24+,25-,27+,28-,29-,30-/m1/s1

InChIKey: InChIKey=FCBWDRJMPPIQGL-VGYSGEKHSA-N

Formula: C30H48O3

Molecular Weight: 456.701448

Exact Mass: 456.360345

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lima, F.V., Malheiros, A., Otuki, M.F., Calixto, J.B., Yunes, R.A., Cechinel, V., Delle Monache, F. J. Braz. Chem. Soc. (2005) 16, 578-82

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) 40.3
2 (CH2) 34.2
3 (C) 217.9
4 (C) 47.6
5 (CH) 55.2
6 (CH2) 19.6
7 (CH2) 33
8 (C) 43.2
9 (CH) 47.2
10 (C) 37.3
11 (CH) 81.7
12 (CH) 125.4
13 (C) 144.2
14 (C) 44.2
15 (CH2) 35.8
16 (CH) 66.7
17 (C) 38.5
18 (CH) 60.3
19 (CH) 39.4
20 (CH) 39.2
21 (CH2) 30.4
22 (CH2) 35
23 (CH3) 26
24 (CH3) 21.4
25 (CH3) 18
26 (CH3) 16.2
27 (CH3) 23.2
28 (CH3) 21.9
29 (CH3) 17.7
30 (CH3) 21.2