Spektraris NMR
Sipholenone-D
Common Name: Sipholenone-D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-19-9-10-22-21(13-17-29(22,7)32)26(2,3)20(19)11-12-23-28(6)16-14-24(31)27(4,5)34-25(28)15-18-30(23,8)33/h11,19,21-23,25,32-33H,9-10,12-18H2,1-8H3/b20-11-/t19-,21-,22-,23-,25?,28-,29-,30+/m1/s1
InChIKey: InChIKey=VMQJMMQIBHGNCM-DJAJBIMNSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kashman, Y., Yosief, T., Carmeli, S. J Nat Prod (2001) 64, 175-80
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sipholanes; 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 (C) | 42.1 |
| 2 (CH2) | 40.6 |
| 3 (CH2) | 35.3 |
| 4 (C) | 217.4 |
| 5 (C) | 82.6 |
| 7 (CH) | 81.3 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 40.8 |
| 10 (C) | 72.4 |
| 11 (CH) | 58 |
| 12 (CH2) | 33.5 |
| 13 (CH) | 132.7 |
| 14 (C) | 140.7 |
| 15 (CH) | 33.8 |
| 16 (CH2) | 32.1 |
| 17 (CH2) | 21.3 |
| 18 (CH) | 50.1 |
| 19 (C) | 73.1 |
| 20 (CH2) | 37.2 |
| 21 (CH2) | 24 |
| 22 (CH) | 50.9 |
| 23 (C) | 33.3 |
| 24 (CH3) | 12.5 |
| 25 (CH3) | 20.6 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 28.8 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 23.6 |
| 30 (CH3) | 22.3 |
| 31 (CH3) | 30 |
