b-D-xyfopyranosy(1-->2)-b-D-glucopyranosyl ester

b-D-xyfopyranosy(1-->2)-b-D-glucopyranosyl ester

Common Name: b-D-xyfopyranosy(1-->2)-b-D-glucopyranosyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H46O12/c1-16-5-8-21-30(2,18(16)7-6-17-9-12-39-14-17)10-4-11-31(21,3)29(38)43-28-26(24(36)23(35)20(13-32)41-28)42-27-25(37)22(34)19(33)15-40-27/h9,12,14,19-28,32-37H,4-8,10-11,13,15H2,1-3H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-,28-,30+,31-/m0/s1

InChIKey: InChIKey=MGFWZULLFYLVNO-TUZBTLIWSA-N

Formula: C31H46O12

Molecular Weight: 610.690947

Exact Mass: 610.298927

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 37.5
2 (CH2) 19.9
3 (CH2) 38.1
4 (C) 44.5
5 (CH) 53.9
6 (CH2) 21.4
7 (CH2) 34.7
8 (C) 127.2
9 (C) 139.5
10 (C) 40.2
11 (CH2) 29.2
12 (CH2) 26.1
13 (C) 126.1
14 (CH) 111.5
15 (CH) 143.3
16 (CH) 139.1
17 (CH3) 19.9
18 (CH3) 28.5
19 (C) 176.6
20 (CH3) 18.8
1' (CH) 93.5
2' (CH) 81
3' (CH) 78.5
4' (CH) 70.9
5' (CH) 78.9
6' (CH2) 62.2
1'' (CH) 106.2
2'' (CH) 76
3'' (CH) 78.4
4'' (CH) 71.1
5'' (CH2) 67.3