11α,12α-epoxy-3β-[(O-β-D-glucuronopyranosyl)oxy]taraxer-14-en-28-oic acid β-D-glucopyranosyl ester

11α,12α-epoxy-3β-[(O-β-D-glucuronopyranosyl)oxy]taraxer-14-en-28-oic acid β-D-glucopyranosyl ester

Common Name: 11α,12α-epoxy-3β-[(O-β-D-glucuronopyranosyl)oxy]taraxer-14-en-28-oic acid β-D-glucopyranosyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C42H64O15/c1-37(2)14-15-42(36(52)57-34-27(48)24(45)23(44)18(17-43)53-34)13-9-20-40(6)11-8-19-38(3,4)22(54-35-28(49)25(46)26(47)29(56-35)33(50)51)10-12-39(19,5)31(40)30-32(55-30)41(20,7)21(42)16-37/h9,18-19,21-32,34-35,43-49H,8,10-17H2,1-7H3,(H,50,51)/t18-,19+,21+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32+,34+,35-,39+,40+,41-,42-/m1/s1

InChIKey: InChIKey=KVLMXIFYTVHUSW-VOOUUAOYSA-N

Formula: C42H64O15

Molecular Weight: 808.95019

Exact Mass: 808.424521

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 : Taraxeranes; 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) 38.6
2 (CH2) 26.2
3 (CH) 89.1
4 (C) 39.3
5 (CH) 54.9
6 (CH2) 18.8
7 (CH2) 40.3
8 (C) 39.3
9 (CH) 54
10 (C) 36.5
11 (CH) 51.9
12 (CH) 58.4
13 (C) 37.6
14 (C) 159.7
15 (CH) 118.9
16 (CH2) 32.4
17 (C) 51.4
18 (CH) 42
19 (CH2) 35.5
20 (C) 29.1
21 (CH2) 33.9
22 (CH2) 30.6
23 (CH3) 27.8
24 (CH3) 16.6
25 (CH3) 17
26 (CH3) 26.9
27 (CH3) 20.8
28 (C) 176.5
29 (CH3) 32.2
30 (CH3) 29.1
1' (CH) 107.1
2' (CH) 75.2
3' (CH) 77.8
4' (CH) 73.2
5' (CH) 77.6
6' (C) 172.5
1'' (CH) 96.2
2'' (CH) 73.9
3'' (CH) 78.5
4'' (CH) 70.8
5'' (CH) 79
6'' (CH2) 61.9