3-oxo-15 α,16 α,21 β,22 α,28-pentahydroxy-Delta(1,12)-oleanane

3-oxo-15 α,16 α,21 β,22 α,28-pentahydroxy-Delta(1,12)-oleanane

Common Name: 3-oxo-15 α,16 α,21 β,22 α,28-pentahydroxy-Delta(1,12)-oleanane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O6/c1-25(2)14-17-16-8-9-19-27(5)12-11-20(32)26(3,4)18(27)10-13-28(19,6)29(16,7)22(34)24(36)30(17,15-31)23(35)21(25)33/h8,11-12,17-19,21-24,31,33-36H,9-10,13-15H2,1-7H3/t17-,18-,19+,21-,22-,23-,24+,27-,28+,29-,30+/m0/s1

InChIKey: InChIKey=NQLKLVWEPFMCHQ-OSQMWACDSA-N

Formula: C30H46O6

Molecular Weight: 502.683781

Exact Mass: 502.329439

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Dellagreca, M., Fiorentino, A., Monaco, P., Previtera, L. Phytochemistry (1994) 35, 201-4

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 (CH) 160.2
2 (CH) 123.7
3 (C) 205.2
4 (C) 44.8
5 (CH) 53.8
6 (CH2) 20
7 (CH2) 36
8 (C) 41.1
9 (CH) 48.7
10 (C) 39.9
11 (CH2) 24.1
12 (CH) 124.4
13 (C) 145.2
14 (C) 48.7
15 (CH) 67.1
16 (CH) 72.6
17 (C) 47.8
18 (CH) 42.3
19 (CH2) 47.9
20 (C) 36.6
21 (CH) 78.6
22 (CH) 76.6
23 (CH3) 26.9
24 (CH3) 21.2
25 (CH3) 19.3
26 (CH3) 18.2
27 (CH3) 21
28 (CH2) 67.6
29 (CH3) 30.7
30 (CH3) 19.6