3-Oxo-29-hydroxyoleana-12-ene-28-oic acid

3-Oxo-29-hydroxyoleana-12-ene-28-oic acid

Common Name: 3-Oxo-29-hydroxyoleana-12-ene-28-oic acid

Synonyms: 3-Oxo-29-hydroxyoleana-12-ene-28-oic acid

CAS Registry Number:

InChI: InChI=1S/C30H46O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-22,31H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,26+,27-,28+,29+,30-/m0/s1

InChIKey: InChIKey=CZSDKFJKOMHDAG-BBDIDADBSA-N

Formula: C30H46O4

Molecular Weight: 470.684971

Exact Mass: 470.33961

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. Phytochemistry (2000) 53, 805-10

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) 39.2
2 (CH2) 34.2
3 (C) 217.8
4 (C) 47.5
5 (CH) 55.3
6 (CH2) 19.6
7 (CH2) 32.2
8 (C) 39.3
9 (CH) 47
10 (C) 36.9
11 (CH2) 23
12 (CH) 122.8
13 (C) 143.4
14 (C) 41.8
15 (CH2) 27.7
16 (CH2) 23.6
17 (C) 46.9
18 (CH) 40.3
19 (CH2) 40.1
20 (C) 35.8
21 (CH2) 28.3
22 (CH2) 31.6
23 (CH3) 26.5
24 (CH3) 21.5
25 (CH3) 15.1
26 (CH3) 17
27 (CH3) 26
28 (C) 183.1
29 (CH2) 74.3
30 (CH3) 19