10-O-trans-p-coumaroyldesacetyl asperulosidic acid

10-O-trans-p-coumaroyldesacetyl asperulosidic acid

Common Name: 10-O-trans-p-coumaroyldesacetyl asperulosidic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H28O13/c26-8-16-20(30)21(31)22(32)25(37-16)38-24-18-12(7-15(28)19(18)14(10-36-24)23(33)34)9-35-17(29)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-28,30-32H,8-9H2,(H,33,34)/b6-3+/t15-,16+,18+,19-,20+,21-,22+,24-,25-/m0/s1

InChIKey: InChIKey=AENHXJZDACLRQM-ULUBWVSDSA-N

Formula: C25H28O13

Molecular Weight: 536.483003

Exact Mass: 536.152991

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Huang, X.Z., Wang, Y.H., Yu, S.S., Fu, G.M., Hu, Y.C., Liu, Y., Fan, L.H. J Nat Prod (2005) 68, 1646-50

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) 101.7
3 (CH) 153.8
4 (C) 109.2
5 (CH) 42.7
6 (CH) 74.5
7 (CH) 132.3
8 (C) 144.5
9 (CH) 46.1
10 (CH2) 63
11 (C) 169.8
1a (CH) 101.6
1b (CH) 74.9
1c (CH) 78.3
1d (CH) 71.2
1e (CH) 78.3
1f (CH2) 62.5
10a (C) 167.1
10b (CH) 114.8
10c (CH) 145.6
10d (C) 126
10e (CH) 130.8
10f (CH) 116.8
10g (C) 161.6
10h (CH) 116.8
10i (CH) 130.8