Common Name: Caesalpinin MN
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O9/c1-12-10-19(32-13(2)27)23(5)17-11-18-16(8-9-31-18)24(6,30)20(17)21(33-14(3)28)22(34-15(4)29)26(23)25(12,7)35-26/h8-9,12,17,19-22,30H,10-11H2,1-7H3/t12-,17-,19-,20-,21+,22-,23-,24+,25+,26-/m0/s1
InChIKey: InChIKey=XFBKUWVLEJBLBR-OPNSEMPISA-N
Formula: C26H34O9
Molecular Weight: 490.543763
Exact Mass: 490.220283
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, 1300-4
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)
Position | PPM |
---|---|
1 (CH) | 74.1 |
2 (CH2) | 27.1 |
3 (CH) | 31.8 |
4 (C) | 64.9 |
5 (C) | 68.1 |
6 (CH) | 69.6 |
7 (CH) | 72.5 |
8 (CH) | 48 |
9 (CH) | 35.5 |
10 (C) | 41.1 |
11 (CH2) | 22.3 |
12 (C) | 147.2 |
13 (C) | 125 |
14 (C) | 72.4 |
15 (CH) | 107.2 |
16 (CH) | 141.9 |
17 (CH3) | 25.2 |
18 (CH3) | 20.6 |
19 (CH3) | 17 |
20 (CH3) | 19.9 |
1a (C) | 170.6 |
1b (CH3) | 21.4 |
6a (C) | 170.3 |
6b (CH3) | 21.3 |
7a (C) | 169.7 |
7b (CH3) | 21.2 |