Spektraris NMR
chikusetsusaponin-L9bc
Common Name: chikusetsusaponin-L9bc
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O10/c1-18(2)20(38)10-14-36(8,44)19-9-13-34(6)26(19)22(45-31-29(43)28(42)27(41)23(17-37)46-31)15-24-33(5)12-11-25(40)32(3,4)30(33)21(39)16-35(24,34)7/h19-31,37-44H,1,9-17H2,2-8H3/t19-,20?,21-,22+,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
InChIKey: InChIKey=SWUDVYRVXAIEHZ-XYCYOREOSA-N
Formula: C36H62O10
Molecular Weight: 654.872868
Exact Mass: 654.434298
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Komakine, N., Okasaka, M., Takaishi, Y., Kawazoe, K., Murakami, K., Yamada, Y. J Nat Med (2006) 60, 135-7
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) | 39 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.4 |
| 4 (C) | 40.3 |
| 5 (CH) | 61.7 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 47.2 |
| 8 (C) | 41 |
| 9 (CH) | 49.9 |
| 10 (C) | 39.4 |
| 11 (CH2) | 28 |
| 12 (CH) | 78.6 |
| 13 (CH) | 46.4 |
| 14 (C) | 52 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 54.2 |
| 18 (CH3) | 17.4 |
| 19 (CH3) | 17.3 |
| 20 (C) | 73.5 |
| 21 (CH3) | 27 |
| 22 (CH2) | 32.2 |
| 23 (CH2) | 30 |
| 24 (CH) | 75.9 |
| 25 (C) | 150.1 |
| 26 (CH2) | 109.7 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.4 |
| 1' (CH) | 100.1 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.1 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 62.4 |
