Spektraris NMR
Stellettin M
Common Name: Stellettin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-19(11-9-13-21(3)27(33)34)10-8-12-20(2)26-22(31)18-24-29(6)17-15-25(32)28(4,5)23(29)14-16-30(24,26)7/h8-13,23-25,32H,14-18H2,1-7H3,(H,33,34)/b11-9+,12-8+,19-10+,21-13+,26-20+/t23-,24-,25-,29-,30-/m0/s1
InChIKey: InChIKey=HQKNXSLBDXDYEF-BPBRLBPSSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Lin, H.W., Wang, Z.L., Wu, J.H., Shi, N., Zhang, H.J., Chen, W.S., Morris-Natschke, S.L., Lin, A.S. J Nat Prod (2007) 70, 1114-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Isomalabaricanes; 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 (CH2) | 33.4 |
| 2 (CH2) | 29.1 |
| 3 (CH) | 79.3 |
| 4 (C) | 39.2 |
| 5 (CH) | 46.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 38.3 |
| 8 (C) | 44.8 |
| 9 (CH) | 50.3 |
| 10 (C) | 35.6 |
| 11 (CH2) | 36.8 |
| 12 (C) | 206.6 |
| 13 (C) | 147.9 |
| 14 (C) | 141.8 |
| 15 (CH) | 135.2 |
| 16 (CH) | 130.1 |
| 17 (CH) | 136.5 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 22.3 |
| 20 (C) | 137.6 |
| 21 (CH3) | 12.9 |
| 22 (CH) | 144.9 |
| 23 (CH) | 123.8 |
| 24 (CH) | 140.8 |
| 25 (C) | 125.7 |
| 26 (C) | 172.6 |
| 27 (CH3) | 12.6 |
| 28 (CH3) | 29 |
| 29 (CH3) | 15.9 |
| 30 (CH3) | 24.7 |
