Spektraris NMR
22,23-Dihydrostellettin B
Common Name: 22,23-Dihydrostellettin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O4/c1-18(22-12-11-20(3)27(33)34-22)9-8-10-19(2)26-21(31)17-24-29(6)16-14-25(32)28(4,5)23(29)13-15-30(24,26)7/h8-11,22-24H,12-17H2,1-7H3/b10-8+,18-9+,26-19+/t22-,23-,24-,29-,30-/m0/s1
InChIKey: InChIKey=SZTYRCIANMNHDG-RUJZWOBDSA-N
Formula: C30H40O4
Molecular Weight: 464.637327
Exact Mass: 464.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lv, F., Deng, Z., Li, J., Fu, H., van Soest, R.W., Proksch, P., Lin, W. J Nat Prod (2004) 67, 2033-6
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) | 31.4 |
| 2 (CH2) | 33.5 |
| 3 (C) | 219 |
| 4 (C) | 46.9 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 37.2 |
| 8 (C) | 44.8 |
| 9 (CH) | 47.9 |
| 10 (C) | 34.8 |
| 11 (CH2) | 36.8 |
| 12 (C) | 206.2 |
| 13 (C) | 145.9 |
| 14 (C) | 142.4 |
| 15 (CH) | 133.9 |
| 16 (CH) | 129.4 |
| 17 (CH) | 128.7 |
| 18 (CH3) | 16 |
| 19 (CH3) | 23.5 |
| 20 (C) | 136.8 |
| 21 (CH3) | 13 |
| 22 (CH) | 82.6 |
| 23 (CH2) | 28.7 |
| 24 (CH) | 138.9 |
| 25 (C) | 128.5 |
| 26 (C) | 165.8 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 19.4 |
| 30 (CH3) | 24.7 |
