Spektraris NMR
Leucastrin B
Common Name: Leucastrin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-19(2)22(31)12-18-30(8,33)21-11-16-28(6)20(21)9-10-24-27(5)15-14-25(32)26(3,4)23(27)13-17-29(24,28)7/h20-25,31-33H,1,9-18H2,2-8H3/t20-,21+,22+,23+,24+,25+,27+,28+,29+,30+/m1/s1
InChIKey: InChIKey=AOXTVVMIAYODJX-LCUTZJSESA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miyaichi, Y., Segawa, A., Tomimori, T. Chem Pharm Bull (2006) 54, 1370-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 32.9 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 79.4 |
| 4 (C) | 39.2 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.1 |
| 8 (C) | 40 |
| 9 (CH) | 45.5 |
| 10 (C) | 36.8 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 26.2 |
| 13 (CH) | 43.4 |
| 14 (C) | 50 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 26 |
| 17 (CH) | 48.8 |
| 18 (CH3) | 22.1 |
| 19 (CH3) | 22.5 |
| 20 (C) | 75.1 |
| 21 (CH3) | 27.1 |
| 22 (CH2) | 37.2 |
| 23 (CH2) | 29.4 |
| 24 (CH) | 76 |
| 25 (C) | 147.6 |
| 26 (CH2) | 110.9 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 29.1 |
| 29 (CH3) | 16.1 |
| 30 (CH3) | 17.5 |
