3-methyl-22β,23-dial-6-oxotingenol

3-methyl-22β,23-dial-6-oxotingenol

Common Name: 3-methyl-22β,23-dial-6-oxotingenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H38O6/c1-15-11-20-27(3,25(34)23(15)33)8-10-29(5)21-13-18(31)22-16(14-30)24(35-6)19(32)12-17(22)26(21,2)7-9-28(20,29)4/h12-13,15,20,25,30,32,34H,7-11,14H2,1-6H3/t15-,20-,25-,26+,27-,28+,29-/m1/s1

InChIKey: InChIKey=IZDJSAJVSZKIGM-YYFDBVFDSA-N

Formula: C29H38O6

Molecular Weight: 482.609519

Exact Mass: 482.266839

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Takaishi, Y., Miyagi, K., Kawazoe, K., Nakano, K., Li, K.H., Duan, H.Q. Phytochemistry (1997) 45, 975-8

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) 111.4
2 (C) 153.3
3 (C) 144.7
4 (C) 134.8
5 (C) 123.5
6 (C) 187.7
7 (CH) 125.5
8 (C) 172.9
9 (C) 40.9
10 (C) 155.8
11 (CH2) 34.4
12 (CH2) 30.2
13 (C) 40.5
14 (C) 45.2
15 (CH2) 28.3
16 (CH2) 29.6
17 (C) 44.9
18 (CH) 45.2
19 (CH2) 32
20 (CH) 41
21 (C) 213.5
22 (CH) 16.7
23 (CH2) 57.1
25 (CH3) 38.6
26 (CH3) 21
27 (CH3) 20.7
28 (CH3) 25.2
30 (CH3) 14.9
3a (CH3) 63.6