3b,24-Dihydroxyolean-12-en-22-on-28-oic acid

3b,24-Dihydroxyolean-12-en-22-on-28-oic acid

Common Name: 3b,24-Dihydroxyolean-12-en-22-on-28-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,25-,26+,27-,28+,29+,30+/m0/s1

InChIKey: InChIKey=MVTZJCYINFKILV-IMMOWNMXSA-N

Formula: C30H46O5

Molecular Weight: 486.684376

Exact Mass: 486.334525

NMR Solvent: C+ M

MHz:

Calibration:

NMR references: 13C - Kang S.S., Woo W.S J Nat Prod (1988) 51, 335

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) 38.7
2 (CH2) 27.6
3 (CH) 80.6
4 (C) 42.7
5 (CH) 56.2
6 (CH2) 18.6
7 (CH2) 33.3
8 (C) 41.2
9 (CH) 47
10 (C) 37
11 (CH2) 24.2
12 (CH) 125
13 (C) 141
14 (C) 42.1
15 (CH2) 25.4
16 (CH2) 27.6
17 (C) 40.1
18 (CH) 46
19 (CH2) 40.1
20 (C) 47
21 (CH2) 44.4
22 (C) 217.4
23 (CH3) 22.7
24 (CH2) 64.7
25 (CH3) 16.3
26 (CH3) 16.7
27 (CH3) 25.6
28 (CH3) 20.6
29 (C) 179.5
30 (CH3) 28.8