Spektraris NMR
Santolin B
Common Name: Santolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-18(2)22-11-15-30(7,34-22)20-10-13-28(5)19(20)8-9-24-26(3)16-21(32)25(33)27(4,17-31)23(26)12-14-29(24,28)6/h8,20-21,23-25,31-33H,9-17H2,1-7H3/t20-,21+,23+,24+,25-,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=XOPJRPHOKFEGKT-AIVZPAIESA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, Z., Fatima, I., Mehmood, S., Ifzal, R., Malik, A., Afza, N. Helv Chim Acta (2008) 91, 73-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 47.6 |
| 2 (CH) | 70.1 |
| 3 (CH) | 80.2 |
| 4 (C) | 44 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.4 |
| 9 (CH) | 42.6 |
| 10 (C) | 40.3 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 123.2 |
| 13 (C) | 145 |
| 14 (C) | 40.1 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 40.5 |
| 18 (CH3) | 24.1 |
| 19 (CH3) | 17.7 |
| 20 (C) | 79.9 |
| 21 (CH3) | 23.5 |
| 22 (CH2) | 34.1 |
| 23 (CH2) | 21.3 |
| 24 (C) | 146 |
| 25 (C) | 99.2 |
| 26 (CH3) | 19.3 |
| 27 (CH3) | 16.2 |
| 28 (CH3) | 23.7 |
| 29 (CH2) | 65.7 |
| 30 (CH3) | 17.5 |
