Spektraris NMR
Neoalsogenin
Common Name: Neoalsogenin
Synonyms: Neoalsogenin
CAS Registry Number:
InChI: InChI=1S/C30H52O5/c1-25(2)20-10-14-28(6)21(27(20,5)12-11-22(25)33)15-18(31)23-17(9-13-29(23,28)7)30(8)16-19(32)24(35-30)26(3,4)34/h17-24,31-34H,9-16H2,1-8H3/t17-,18+,19-,20-,21+,22-,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=VAAGMXMHLOITCJ-CYFUZOAMSA-N
Formula: C30H52O5
Molecular Weight: 492.732021
Exact Mass: 492.381475
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Min, B.S., Oh, S.R., Ahn, K.S., Kim, J.H., Lee, J., Kim, D.Y., Kim, E.H., Lee, H.K. Planta Med (2004) 70, 1210-5
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) | 39.7 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 78.2 |
| 4 (C) | 39.7 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.6 |
| 11 (CH2) | 32.8 |
| 12 (CH) | 71 |
| 13 (CH) | 49.9 |
| 14 (C) | 52.4 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 28.4 |
| 17 (CH) | 50.2 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 16.8 |
| 20 (C) | 85.3 |
| 21 (CH3) | 29.9 |
| 22 (CH2) | 42.3 |
| 23 (CH) | 70.7 |
| 24 (CH) | 91.7 |
| 25 (C) | 70.3 |
| 26 (CH3) | 27.7 |
| 27 (CH3) | 26.8 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 18.3 |
