3-O-β-D-xylopipanosyl-cycloastragenol

3-O-β-D-xylopipanosyl-cycloastragenol

Common Name: 3-O-β-D-xylopipanosyl-cycloastragenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H58O9/c1-29(2)22(43-28-25(40)24(39)20(38)16-42-28)9-11-35-17-34(35)13-12-31(5)27(33(7)10-8-23(44-33)30(3,4)41)19(37)15-32(31,6)21(34)14-18(36)26(29)35/h18-28,36-41H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24-,25+,26-,27-,28-,31+,32-,33+,34-,35+/m0/s1

InChIKey: InChIKey=VXHVFDQYSSFKAR-MVRGBOKSSA-N

Formula: C35H58O9

Molecular Weight: 622.830964

Exact Mass: 622.408083

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hirotani, M., Zhou, Y., Rui, H.K., Furuya, T. Phytochemistry (1994) 37, 1403-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) 32.6
2 (CH2) 30.5
3 (CH) 88.8
4 (C) 42.9
5 (CH) 52.2
6 (CH) 68.2
7 (CH2) 38.8
8 (CH) 47.2
9 (C) 21.2
10 (C) 29.7
11 (CH2) 26.4
12 (CH2) 33.6
13 (C) 45.2
14 (C) 46.3
15 (CH2) 46.8
16 (CH) 73.6
17 (CH) 58.5
18 (CH3) 21.7
19 (CH2) 30.8
20 (C) 87.4
21 (CH3) 28.7
22 (CH2) 35.1
23 (CH2) 26.6
24 (CH) 81.9
25 (C) 71.4
26 (CH3) 21.3
27 (CH3) 28.3
28 (CH3) 29.1
29 (CH3) 16.8
30 (CH3) 20.3
1' (CH) 107.8
2' (CH) 75.8
3' (CH) 78.7
4' (CH) 71.4
5' (CH2) 61.2