Diacetate of 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid

Diacetate of 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid

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)

Carbon NMR Peaks

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