(2b,3b,4a,16b)-3-[(4-O-Acetyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norolean-12-en-23

(2b,3b,4a,16b)-3-[(4-O-Acetyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norolean-12-en-23

Common Name: (2b,3b,4a,16b)-3-[(4-O-Acetyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norolean-12-en-23

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H56O12/c1-17(39)47-28-22(16-38)48-31(27(43)26(28)42)49-30-21(40)15-34(4)23-9-8-20-19-14-33(2,3)12-10-18(19)25(41)29(44)37(20,7)35(23,5)13-11-24(34)36(30,6)32(45)46/h8,18-19,21-28,30-31,38,40-43H,9-16H2,1-7H3,(H,45,46)/t18-,19+,21-,22+,23+,24+,25+,26+,27+,28+,30-,31-,34+,35+,36-,37-/m0/s1

InChIKey: InChIKey=FLMLIMBRELGTQX-MPFYNJQWSA-N

Formula: C37H56O12

Molecular Weight: 692.83477

Exact Mass: 692.377177

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Niu, X.M., Li, S.H., Zhao, Q.S., Mei, S.X., Lin, Z.W., Sun, H.D., Lu, Y., Wang, C., Zheng, Q.T. Helv Chim Acta (2003) 86, 299-306

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) 44.4
2 (CH) 70
3 (CH) 86.4
4 (C) 52.8
5 (CH) 52.3
6 (CH2) 21.2
7 (CH2) 36.1
8 (C) 41.6
9 (CH) 47.7
10 (C) 36.9
11 (CH2) 23.9
12 (CH) 125.1
13 (C) 142.2
14 (C) 54.6
15 (C) 214.6
16 (CH) 76
17 (CH) 44.1
18 (CH) 45.8
19 (CH2) 46.8
20 (C) 30.9
21 (CH2) 34.5
22 (CH2) 20.6
23 (C) 180.3
24 (CH3) 14.1
25 (CH3) 17
26 (CH3) 18.1
27 (CH3) 20.5
29 (CH3) 33.2
30 (CH3) 23.2
1' (CH) 105.7
2' (CH) 72.6
3' (CH) 78.3
4' (CH) 71.2
5' (CH) 77.1
6' (CH2) 172.2
4'a (C) 170.6
4'b (CH3) 21