Spektraris NMR
Zumsenol
Common Name: Zumsenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O8/c1-15(31)36-22-12-21-27(3,4)38-23-11-18(33)13-30(21,23)25-24(34)26(37-16(2)32)28(5)19(17-9-10-35-14-17)7-8-20(28)29(22,25)6/h8-10,14,19,21-26,34H,7,11-13H2,1-6H3/t19-,21-,22+,23-,24+,25-,26-,28-,29+,30+/m0/s1
InChIKey: InChIKey=BERMERYMXVSGPF-OXHPQZSKSA-N
Formula: C30H38O8
Molecular Weight: 526.619065
Exact Mass: 526.256668
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) | 84.7 |
| 2 (CH2) | 45.7 |
| 3 (C) | 217.3 |
| 4 (C) | 80.7 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 26 |
| 7 (CH) | 75.8 |
| 8 (C) | 43 |
| 9 (CH) | 45 |
| 10 (C) | 53.6 |
| 11 (CH) | 75.4 |
| 12 (CH) | 91 |
| 13 (C) | 50.3 |
| 14 (C) | 154.5 |
| 15 (CH) | 124 |
| 16 (CH2) | 36.6 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 16 |
| 19 (CH2) | 42.5 |
| 20 (C) | 124.3 |
| 21 (CH) | 140.4 |
| 22 (CH) | 111.8 |
| 23 (CH) | 142.2 |
| 28 (CH3) | 31.3 |
| 29 (CH3) | 23.4 |
| 30 (CH3) | 29 |
| 7a (C) | 169.6 |
| 7b (CH3) | 21.2 |
| 12a (C) | 173.7 |
| 12b (CH3) | 21.1 |
