(2b,3b,4a,16b)-3-[(4-O-Acetyl-6-O-methyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norole

(2b,3b,4a,16b)-3-[(4-O-Acetyl-6-O-methyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norole

Common Name: (2b,3b,4a,16b)-3-[(4-O-Acetyl-6-O-methyl-b-D-glucopyranuronosyl)oxy]-2,16-dihydroxy-15-oxo-28-norole

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C38H56O13/c1-17(39)49-27-25(42)26(43)32(50-28(27)31(45)48-8)51-30-21(40)16-35(4)22-10-9-20-19-15-34(2,3)13-11-18(19)24(41)29(44)38(20,7)36(22,5)14-12-23(35)37(30,6)33(46)47/h9,18-19,21-28,30,32,40-43H,10-16H2,1-8H3,(H,46,47)/t18-,19+,21-,22+,23+,24+,25+,26+,27-,28-,30-,32-,35+,36+,37-,38-/m0/s1

InChIKey: InChIKey=JMKWRMYNWUGQBF-MBFXUWIRSA-N

Formula: C38H56O13

Molecular Weight: 720.84491

Exact Mass: 720.372092

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) 44.5
2 (CH) 70.6
3 (CH) 86.4
4 (C) 52.8
5 (CH) 52.4
6 (CH2) 21.2
7 (CH2) 36.1
8 (C) 41.6
9 (CH) 47.8
10 (C) 36.9
11 (CH2) 23.9
12 (CH) 125.1
13 (C) 142.3
14 (C) 54.6
15 (C) 214.7
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
25 (CH3) 17
26 (CH3) 18.1
27 (CH3) 20.6
29 (CH3) 33.2
30 (CH3) 23.2
1' (CH) 106
2' (CH) 72.4
3' (CH) 78
4' (CH) 70.9
5' (CH) 76.5
6' (C) 170.1
4'a (C) 170.5
4'b (CH3) 21
6'a (CH3) 52.1