6'-O-Acetylpseudolaric acid B-O-β-D-glucopyranoside

6'-O-Acetylpseudolaric acid B-O-β-D-glucopyranoside

Common Name: 6'-O-Acetylpseudolaric acid B-O-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H40O14/c1-16(25(37)43-27-24(36)23(35)22(34)20(42-27)15-41-17(2)32)7-6-11-29(4)21-10-13-30(28(39)45-29)12-8-19(26(38)40-5)9-14-31(21,30)44-18(3)33/h6-8,11,20-24,27,34-36H,9-10,12-15H2,1-5H3/b11-6+,16-7+/t20-,21+,22-,23+,24-,27+,29-,30-,31+/m1/s1

InChIKey: InChIKey=XIOGLAZTVVUMLC-BGSONSNESA-N

Formula: C31H40O14

Molecular Weight: 636.642112

Exact Mass: 636.241806

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Yang, S.P., Wu, Y., Yue, J.M. J Nat Prod (2002) 65, 1041-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sphenolobanes; 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) 30.7
2 (CH2) 20.2
3 (C) 134.5
4 (CH) 141.9
5 (CH2) 27.8
6 (C) 55.2
7 (CH2) 33.2
8 (CH2) 24.4
9 (CH) 49.3
10 (C) 89.6
11 (C) 167.6
12 (C) 172.7
13 (C) 83.4
14 (CH3) 27.9
15 (CH) 145
16 (CH) 120.9
17 (CH) 138.2
18 (C) 127.4
19 (CH3) 12.2
20 (C) 166.7
1' (CH) 95.8
2' (CH) 73.8
3' (CH) 77.8
4' (CH) 70.6
5' (CH) 75.8
6' (CH2) 64.1
10a (C) 169.3
10b (CH3) 21.1
11a (CH3) 51.5
6'b (C) 170.4
6'c (CH3) 20.3