Spektraris NMR
Zumsenin
Common Name: Zumsenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O8/c1-15(31)36-24-25-29(6,22(34)12-21-27(3,4)38-23-11-18(33)13-30(21,23)25)20-8-7-19(17-9-10-35-14-17)28(20,5)26(24)37-16(2)32/h8-10,14,19,21,23-26H,7,11-13H2,1-6H3/t19-,21-,23-,24+,25-,26-,28-,29+,30+/m0/s1
InChIKey: InChIKey=KSEPBLBDIIHMMF-DCDXSZFTSA-N
Formula: C30H36O8
Molecular Weight: 524.603183
Exact Mass: 524.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nihei, K., Asaka, Y., Mine, Y., Kubo, I. J Nat Prod (2005) 68, 244-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) | 84.4 |
| 2 (CH2) | 45.2 |
| 3 (C) | 216.5 |
| 4 (C) | 80.8 |
| 5 (CH) | 59.9 |
| 6 (CH2) | 38.1 |
| 7 (C) | 206.8 |
| 8 (C) | 51.3 |
| 9 (CH) | 47.6 |
| 10 (C) | 53.5 |
| 11 (CH) | 76.1 |
| 12 (CH) | 83.1 |
| 13 (C) | 51.3 |
| 14 (C) | 147.9 |
| 15 (CH) | 131.4 |
| 16 (CH2) | 37.8 |
| 17 (CH) | 50.8 |
| 18 (CH3) | 17.2 |
| 19 (CH2) | 41.5 |
| 20 (C) | 124.4 |
| 21 (CH) | 140.7 |
| 22 (CH) | 111.7 |
| 23 (CH) | 142.7 |
| 28 (CH3) | 31.5 |
| 29 (CH3) | 24.1 |
| 30 (CH3) | 30.6 |
| 11a (C) | 171.3 |
| 11b (CH3) | 21.4 |
| 12a (C) | 171.2 |
| 12b (CH3) | 21.6 |
