25-Acetoxy-3alpha-hydroxyoleana-12-ene-28-oic acid

25-Acetoxy-3alpha-hydroxyoleana-12-ene-28-oic acid

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)

Carbon NMR Peaks

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