Common Name: 25-Acetoxy-3alpha-hydroxyoleana-12-ene-28-oic acid
Synonyms: 25-Acetoxy-3alpha-hydroxyoleana-12-ene-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C32H50O5/c1-20(33)37-19-32-13-11-25(34)28(4,5)23(32)10-12-30(7)24(32)9-8-21-22-18-27(2,3)14-16-31(22,26(35)36)17-15-29(21,30)6/h8,22-25,34H,9-19H2,1-7H3,(H,35,36)/t22-,23-,24-,25+,29+,30+,31-,32+/m0/s1
InChIKey: InChIKey=FHWNEUNAQWTXBE-QMHNVBCKSA-N
Formula: C32H50O5
Molecular Weight: 514.737611
Exact Mass: 514.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sakai, K., Fukuda, Y., Matsunaga, S., Tanaka, R., Yamori, T. J Nat Prod (2004) 67, 1088-93
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)
Position | PPM |
---|---|
1 (CH2) | 29.6 |
2 (CH2) | 24.8 |
3 (CH) | 78.5 |
4 (C) | 36.7 |
5 (CH) | 50.8 |
6 (CH2) | 18.3 |
7 (CH2) | 33.3 |
8 (C) | 40.1 |
9 (CH) | 49.1 |
10 (C) | 41.8 |
11 (CH2) | 25.3 |
12 (CH) | 123.8 |
13 (C) | 144.6 |
14 (C) | 42.4 |
15 (CH2) | 28.4 |
16 (CH2) | 23.7 |
17 (C) | 46.6 |
18 (CH) | 41.9 |
19 (CH2) | 46.7 |
20 (C) | 31 |
21 (CH2) | 34.2 |
22 (CH2) | 33.2 |
23 (CH3) | 28.5 |
24 (CH3) | 21.8 |
25 (CH2) | 60.3 |
26 (CH3) | 17.9 |
27 (CH3) | 26.6 |
28 (C) | 180.2 |
29 (CH3) | 33.2 |
30 (CH3) | 23.8 |
25a (C) | 170.4 |
25b (CH3) | 21.2 |