Common Name: Diacetate of 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-27(2)13-15-32(26(36)38-8)16-14-29(4)19(20(32)17-27)9-10-22-28(3)18-21(33)24(34)31(6,25(35)37-7)23(28)11-12-30(22,29)5/h9,20-24,33-34H,10-18H2,1-8H3/t20-,21+,22+,23+,24-,28+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=NRQWOYJXRZMQPN-JTFSFCSYSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, M.H., Han, Y.N. Planta Med (2003) 69, 327-31
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) | 46.1 |
2 (CH) | 68.2 |
3 (CH) | 83.5 |
4 (C) | 49.1 |
5 (CH) | 56.5 |
6 (CH2) | 20.1 |
7 (CH2) | 32.7 |
8 (C) | 39.2 |
9 (CH) | 46.7 |
10 (C) | 38.3 |
11 (CH2) | 23 |
12 (CH) | 122.2 |
13 (C) | 143.6 |
14 (C) | 41.7 |
15 (CH2) | 27.6 |
16 (CH2) | 23.6 |
17 (C) | 46.9 |
18 (CH) | 41.3 |
19 (CH2) | 45.7 |
20 (C) | 30.7 |
21 (CH2) | 33.8 |
22 (CH2) | 32.3 |
23 (CH3) | 25.7 |
24 (C) | 178.5 |
25 (CH3) | 14.5 |
26 (CH3) | 16.7 |
27 (CH3) | 23.8 |
28 (C) | 178.2 |
29 (CH3) | 33.1 |
30 (CH3) | 23.6 |
24a (CH3) | 51.5 |
28a (CH3) | 51.5 |