5b,11-Dihidroxy-Iphionan-4-One-11-O-[?-Xylopyranoside-Triacetate]

5b,11-Dihidroxy-Iphionan-4-One-11-O-[?-Xylopyranoside-Triacetate]

Common Name: 5b,11-Dihidroxy-Iphionan-4-One-11-O-[?-Xylopyranoside-Triacetate]

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H40O10/c1-14(27)19-9-11-25(7)10-8-18(12-26(19,25)31)24(5,6)36-23-22(35-17(4)30)21(34-16(3)29)20(13-32-23)33-15(2)28/h18-23,31H,8-13H2,1-7H3/t18-,19-,20+,21-,22+,23-,25+,26+/m1/s1

InChIKey: InChIKey=DUOPFVPGSBUGGE-NONOKKNESA-N

Formula: C26H40O10

Molecular Weight: 512.590813

Exact Mass: 512.262148

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - El Ghazouly, M.G., El Sebakhy, N.A., El Din, A.A.S., Zdero, C., Bohlmann, F. Phytochemistry (1987) 26, 439-43

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Iphionanes; 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) 37.6
2 (CH2) 32.4
3 (CH) 54.6
4 (C) 213.7
5 (C) 82.7
6 (CH2) 24.2
7 (CH) 45.7
8 (CH2) 22.6
9 (CH2) 36.4
10 (C) 45
11 (C) 79.9
12 (CH3) 24.4
13 (CH3) 22.7
14 (CH3) 18.3
15 (CH3) 31.5
1' (CH) 95.6
2' (CH) 71.4
3' (CH) 71.9
4' (CH) 69.1
5' (CH2) 61.9
2'a (C) 169.3
2'b (CH3) 20.7
3'a (C) 169.8
3'b (CH3) 20.7
4'a (C) 170.2
4'b (CH3) 20.7