2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid

2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid

Common Name: 2α-Hydroxy-3β-O-acetyllup-20(29)-en-28-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H50O5/c1-18(2)20-11-14-32(27(35)36)16-15-30(7)21(25(20)32)9-10-24-29(6)17-22(34)26(37-19(3)33)28(4,5)23(29)12-13-31(24,30)8/h20-26,34H,1,9-17H2,2-8H3,(H,35,36)/t20-,21+,22+,23-,24+,25+,26-,29-,30+,31+,32-/m0/s1

InChIKey: InChIKey=TZZHURFSCIIOSG-GWZUELQKSA-N

Formula: C32H50O5

Molecular Weight: 514.737611

Exact Mass: 514.365825

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Wang, L.L., Li, Z.L., Song, D.D., Sun, L., Pei, Y.H., Jing, Y.K., Hua, H.M. Planta Med (2008) 74, 1735-40

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) 48.8
2 (CH) 66.4
3 (CH) 85.1
4 (C) 39.6
5 (CH) 55.5
6 (CH2) 18.6
7 (CH2) 34.5
8 (C) 41.4
9 (CH) 50.8
10 (C) 38.5
11 (CH2) 21.3
12 (CH2) 25.9
13 (CH) 38.5
14 (C) 42.8
15 (CH2) 30.2
16 (CH2) 32.8
17 (C) 56.6
18 (CH) 49.7
19 (CH) 47.8
20 (C) 151.2
21 (CH2) 31.2
22 (CH2) 37.6
23 (CH3) 28.7
24 (CH3) 17.9
25 (CH3) 17.5
26 (CH3) 16.3
27 (CH3) 14.8
28 (C) 178.9
29 (CH2) 110
30 (CH3) 19.4
3a (C) 171.1
3b (CH3) 21.2