22b-Hydroxytingenone

22b-Hydroxytingenone

Common Name: 22b-Hydroxytingenone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,14-15,21,24,31-32H,9-13H2,1-6H3/t15-,21-,24-,25+,26-,27-,28+/m1/s1

InChIKey: InChIKey=QIRUFAFQGKOTKA-ZRWKYKNNSA-N

Formula: C28H36O4

Molecular Weight: 436.584092

Exact Mass: 436.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Takaishi, Y., Wariishi, N., Tateishi, H., Kawazoe, K., Nakano, K., Ono, Y., Tokuda, H., Nishino, H., Iwashima, A. Phytochemistry (1997) 45, 969-74

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) 120.2
2 (C) 178.8
3 (C) 146.5
4 (C) 117.6
5 (C) 128.2
6 (CH) 134.1
7 (CH) 118.6
8 (C) 168.8
9 (C) 43
10 (C) 165.1
11 (CH2) 34.4
12 (CH2) 30.4
13 (C) 44.7
14 (C) 41
15 (CH2) 28.7
16 (CH2) 29.9
17 (C) 45.2
18 (CH) 45.5
19 (CH2) 32.4
20 (CH) 41.3
21 (C) 213.7
22 (CH) 76.8
23 (CH3) 10.7
25 (CH3) 39.6
26 (CH3) 22
27 (CH3) 20.9
28 (CH3) 25.4
30 (CH3) 15.1