Caesalpinins MK

Caesalpinins MK

Common Name: Caesalpinins MK

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-13-16-8-10-28-19(16)12-18-17(13)11-21(30-15(3)26)24(27)22(4,5)9-7-20(23(18,24)6)29-14(2)25/h8,10,17-18,20-21,27H,1,7,9,11-12H2,2-6H3/t17-,18-,20-,21-,23-,24+/m0/s1

InChIKey: InChIKey=FOYRDDNHAXUWDF-GBOSRWDWSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. Chem Pharm Bull (2005) 53, 214-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) 75.5
2 (CH2) 22.5
3 (CH2) 32.5
4 (C) 38.5
5 (C) 78.2
6 (CH) 73.1
7 (CH2) 30.1
8 (CH) 34.6
9 (CH) 38.3
10 (C) 45.3
11 (CH2) 22.3
12 (C) 151.1
13 (C) 119.1
14 (C) 141.1
15 (CH) 106.3
16 (CH) 141.8
17 (CH2) 104.6
18 (CH3) 31
19 (CH3) 24.9
20 (CH3) 16.9
1a (C) 169
1b (CH3) 21.4
6a (C) 170.4
6b (CH3) 21.9