Caudatoside C

Caudatoside C

Common Name: Caudatoside C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H32O13/c1-11-17-18(23(19(11)30)38-16(29)8-5-12-3-6-13(28)7-4-12)14(24(34)35-2)10-36-25(17)39-26-22(33)21(32)20(31)15(9-27)37-26/h3-8,10-11,15,17-23,25-28,30-33H,9H2,1-2H3/b8-5+/t11-,15+,17+,18+,19+,20+,21-,22+,23-,25-,26-/m0/s1

InChIKey: InChIKey=DOJKTKQXEVTQMI-LVJCECSGSA-N

Formula: C26H32O13

Molecular Weight: 552.525502

Exact Mass: 552.184291

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Ayers, S., Sneden, A.T. J Nat Prod (2002) 65, 1621-6

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) 94.96
3 (CH) 152.84
4 (C) 109.76
5 (CH) 36.75
6 (CH) 78.5
7 (CH) 78.23
8 (CH) 39.76
9 (CH) 40.01
10 (CH3) 14.01
11 (C) 166.87
1' (CH) 99.18
2' (CH) 74.34
3' (CH) 77.64
4' (CH) 71.43
5' (CH) 77.78
6' (CH2) 62.84
6a (C) 166.44
6b (CH) 115.96
6c (CH) 144.82
6d (C) 126.9
6e (CH) 130.64
6f (CH) 116.47
6g (C) 160.17
6h (CH) 116.47
6i (CH) 130.64
11a (CH3) 51.28