Spektraris NMR
Cordialin A
Common Name: Cordialin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(14-21(32)24-26(4,5)35-24)18-8-10-27(6)19(18)15-20(31)23-28(27,7)11-9-22-25(2,3)30(33)13-12-29(22,23)16-34-30/h14,18-20,22-24,31,33H,8-13,15-16H2,1-7H3/b17-14+/t18-,19-,20-,22+,23+,24-,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=DNEQSUWGQYPGFV-YAMGDRHZSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuroyanagi, M., Kawahara, N., Sekita, S., Satake, M., Hayashi, T., Takase, Y., Masuda, K. J Nat Prod (2003) 66, 1307-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 37.1 |
| 2 (CH2) | 29.9 |
| 3 (C) | 98.3 |
| 4 (C) | 40.8 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.8 |
| 9 (CH) | 51.2 |
| 10 (C) | 36 |
| 11 (CH) | 70.8 |
| 12 (CH2) | 37.7 |
| 13 (CH) | 44.5 |
| 14 (C) | 48.9 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 50 |
| 18 (CH3) | 15.3 |
| 19 (CH2) | 66.2 |
| 20 (C) | 164.2 |
| 21 (CH3) | 16.7 |
| 22 (CH) | 120.2 |
| 23 (C) | 195.6 |
| 24 (CH) | 67.8 |
| 25 (C) | 60.9 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 18.7 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 17.1 |
