Spektraris NMR
Sarcotin O
Common Name: Sarcotin O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-16(10-6-12-18(3)14-21(26)23(28)19(4)25)8-5-9-17(2)11-7-13-20-15-22(27)30-24(20)29/h5,8-9,12,15-16,21,23-24,26,28-29H,6-7,10-11,13-14H2,1-4H3/b8-5+,17-9+,18-12-/t16-,21?,23?,24-/m1/s1
InChIKey: InChIKey=QWSRTOLIHWJYKS-PQKNNISKSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Mansoor, T.A., Hong, J., Lee, C.O., Sim, C.J., Im, K.S., Kim, N.D., Jung, J.H. J Nat Prod (2003) 66, 1451-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) | 172 |
| 2 (CH) | 117.1 |
| 3 (C) | 170 |
| 4 (CH) | 99.2 |
| 5 (CH2) | 27.5 |
| 6 (CH2) | 25.4 |
| 7 (CH2) | 39.7 |
| 8 (C) | 135.6 |
| 9 (CH3) | 16 |
| 10 (CH) | 126 |
| 11 (CH) | 125.2 |
| 12 (CH) | 139.4 |
| 13 (CH) | 38.1 |
| 14 (CH3) | 20.9 |
| 15 (CH2) | 37.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 129 |
| 18 (C) | 132 |
| 19 (CH3) | 23.8 |
| 20 (CH2) | 36 |
| 21 (CH) | 70.5 |
| 22 (CH) | 79 |
| 23 (C) | 211 |
| 24 (CH3) | 25.3 |
