(3β,12α,17α)-12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate

(3β,12α,17α)-12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate

Common Name: (3β,12α,17α)-12-Hydroxy-28-oxo-13,28-epoxyoleanan-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-24,34H,9-18H2,1-8H3/t20-,21+,22+,23-,24-,28-,29+,30-,31-,32+/m0/s1

InChIKey: InChIKey=SFSFDBPTPLSWRM-KXNUYETHSA-N

Formula: C32H50O5

Molecular Weight: 514.737611

Exact Mass: 514.365825

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503

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) 38.6
2 (CH2) 23.6
3 (CH) 80.9
4 (C) 37.9
5 (CH) 55.4
6 (CH2) 17.7
7 (CH2) 34
8 (C) 42.4
9 (CH) 44.6
10 (C) 36.4
11 (CH2) 27.6
12 (CH) 76.3
13 (C) 90.7
14 (C) 42.1
15 (CH2) 28.1
16 (CH2) 21.3
17 (C) 44.8
18 (CH) 51.2
19 (CH2) 39.4
20 (C) 31.6
21 (CH2) 34.2
22 (CH2) 28.9
23 (CH3) 28
24 (CH3) 16.5
25 (CH3) 16.5
26 (CH3) 18.6
27 (CH3) 18.7
28 (C) 180.1
29 (CH3) 33.3
30 (CH3) 24
3a (C) 171.2
3b (CH3) 21.4