11a,12a-epoxy-3b-[(O-b-D-glucuronopyranosyl)oxy]olean-28,13-olide

11a,12a-epoxy-3b-[(O-b-D-glucuronopyranosyl)oxy]olean-28,13-olide

Common Name: 11a,12a-epoxy-3b-[(O-b-D-glucuronopyranosyl)oxy]olean-28,13-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H54O10/c1-30(2)12-14-35-15-13-34(7)33(6)11-8-17-31(3,4)19(43-28-22(39)20(37)21(38)23(45-28)27(40)41)9-10-32(17,5)25(33)24-26(44-24)36(34,18(35)16-30)46-29(35)42/h17-26,28,37-39H,8-16H2,1-7H3,(H,40,41)/t17-,18+,19-,20-,21-,22+,23-,24-,25+,26-,28+,32-,33+,34-,35-,36+/m0/s1

InChIKey: InChIKey=NTEHKHUUGJVIBF-NWAKKCSOSA-N

Formula: C36H54O10

Molecular Weight: 646.809342

Exact Mass: 646.371698

NMR Solvent: P+W

MHz:

Calibration:

NMR references: 13C - Kuroda, M., Aoshima, T., Haraguchi, M., Young, M.C., Sakagami, H., Mimaki, Y. J Nat Prod (2006) 69, 1606-10

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) 38.4
2 (CH2) 26.3
3 (CH) 88.8
4 (C) 39.6
5 (CH) 54.9
6 (CH2) 17.7
7 (CH2) 31.3
8 (C) 41.6
9 (CH) 51.1
10 (C) 36.4
11 (CH) 52.7
12 (CH) 57.3
13 (C) 87.6
14 (C) 40.9
15 (CH2) 27
16 (CH2) 21.6
17 (C) 44.1
18 (CH) 49.8
19 (CH2) 38
20 (C) 31.5
21 (CH2) 34.4
22 (CH2) 27.6
23 (CH3) 27.8
24 (CH3) 16.4
25 (CH3) 17.2
26 (CH3) 20.3
27 (CH3) 18.9
28 (C) 178.9
29 (CH3) 33.1
30 (CH3) 23.4
1' (CH) 107.3
2' (CH) 75.5
3' (CH) 78.2
4' (CH) 73.4
5' (CH) 77.9
6' (C) 172.9