Spektraris NMR
Sarcotrine D
Common Name: Sarcotrine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H45NO4/c1-21(2)16-17-31-20-26(19-28(31)32)15-9-13-23(4)11-7-10-22(3)12-8-14-24(5)18-27-29(33)25(6)30(34)35-27/h7,10-11,14,19,21-22,27,33H,8-9,12-13,15-18,20H2,1-6H3/b10-7+,23-11+,24-14-/t22?,27-/m0/s1
InChIKey: InChIKey=MKKHCPKVPZKMNT-KGAAALQVSA-N
Formula: C30H45N1O4
Molecular Weight: 483.683774
Exact Mass: 483.334859
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Hong, J., Lee, C.O., Im, K.S., Kim, N.D., Choi, J.S., Jung, J.H. J Nat Prod (2002) 65, 1307-14
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) | 174.6 |
| 2 (CH) | 121.8 |
| 3 (C) | 136 |
| 4 (CH2) | 55.4 |
| 5 (CH2) | 24.3 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.2 |
| 8 (C) | 136 |
| 9 (CH3) | 16.3 |
| 10 (CH) | 126.5 |
| 11 (CH) | 127 |
| 12 (CH) | 139.5 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.5 |
| 15 (CH2) | 38.3 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 130.2 |
| 18 (C) | 131 |
| 19 (CH3) | 24.4 |
| 20 (CH2) | 35.6 |
| 21 (CH) | 79.2 |
| 22 (C) | 179.3 |
| 23 (C) | 96.3 |
| 24 (C) | 181 |
| 25 (CH3) | 5.9 |
| 2a (CH2) | 41.3 |
| 2b (CH2) | 38.4 |
| 2c (CH) | 27 |
| 2d (CH3) | 22.8 |
| 2e (CH3) | 22.8 |
