(5R,7R,10S)-Isopterocarpolone β-D-Glucopyranoside

(5R,7R,10S)-Isopterocarpolone β-D-Glucopyranoside

Common Name: (5R,7R,10S)-Isopterocarpolone β-D-Glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O7/c1-11-7-13(23)9-21(4)6-5-12(8-14(11)21)20(2,3)28-19-18(26)17(25)16(24)15(10-22)27-19/h7,12,14-19,22,24-26H,5-6,8-10H2,1-4H3/t12-,14+,15-,16-,17+,18-,19+,21+/m1/s1

InChIKey: InChIKey=OZZNTAYWTGDTHK-AVMQMIKKSA-N

Formula: C21H34O7

Molecular Weight: 398.491274

Exact Mass: 398.230453

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 673-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) 54.87
2 (C) 198.39
3 (CH) 126.74
4 (C) 163.93
5 (CH) 47.91
6 (CH2) 24.18
7 (CH) 48.73
8 (CH2) 22.39
9 (CH2) 40.34
10 (C) 37.53
11 (C) 79.55
12 (CH3) 23.51
13 (CH3) 25.52
14 (CH3) 16.88
15 (CH3) 21.79
1' (CH) 98.75
2' (CH) 75.43
3' (CH) 78.94
4' (CH) 71.94
5' (CH) 78.13
6' (CH2) 63.13