14-O-Methylacetal-15-O-[6 '-(p-hydroxyphenyl-acetyl)]-b-D-glucopyranosylurospermal A

14-O-Methylacetal-15-O-[6 '-(p-hydroxyphenyl-acetyl)]-b-D-glucopyranosylurospermal A

Common Name: 14-O-Methylacetal-15-O-[6 '-(p-hydroxyphenyl-acetyl)]-b-D-glucopyranosylurospermal A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H36O12/c1-15-24-20(40-28(15)36)10-17(4-3-5-18-12-21(24)41-29(18)37-2)13-39-30-27(35)26(34)25(33)22(42-30)14-38-23(32)11-16-6-8-19(31)9-7-16/h5-10,20-22,24-27,29-31,33-35H,1,3-4,11-14H2,2H3/b17-10-,18-5+/t20-,21+,22-,24+,25-,26+,27-,29?,30-/m1/s1

InChIKey: InChIKey=ZWPBLILWVHAYBJ-URBCNZHNSA-N

Formula: C30H36O12

Molecular Weight: 588.600803

Exact Mass: 588.220677

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Helal, A.M., Nakamura, N., El-Askary, H., Hattori, M. Phytochemistry (2000) 53, 473-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) 122.9
2 (CH2) 27.3
3 (CH2) 35.2
4 (C) 139.2
5 (CH) 128.1
6 (CH) 75.8
7 (CH) 52.5
8 (CH) 78.3
9 (CH2) 33.1
10 (C) 140.8
11 (C) 138.7
12 (C) 170.5
13 (CH2) 119.7
14 (CH) 104.7
15 (CH2) 68.4
1' (CH) 102.6
2' (CH) 73.1
3' (CH) 76.2
4' (CH) 69.6
5' (CH) 73.8
6' (CH2) 63.4
14a (CH3) 56
6'a (C) 172.3
6'b (CH2) 40.1
6'c (C) 124.5
6'd (CH) 115.2
6'e (CH) 130
6'f (C) 155.7
6'g (CH) 130
6'h (CH) 115.2