Spektraris NMR
Santolin A
Common Name: Santolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-25(2,34)23-12-15-30(7,35-23)19-10-13-28(5)18(19)8-9-22-26(3)16-20(32)24(33)27(4,17-31)21(26)11-14-29(22,28)6/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20+,21+,22+,23+,24-,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=HFBKNVWNNDKLOR-HYYHNYPVSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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 |
| 3 (CH) | 80.2 |
| 4 (C) | 44 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34.2 |
| 8 (C) | 39.7 |
| 9 (CH) | 42.6 |
| 10 (C) | 40.4 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.7 |
| 13 (C) | 145 |
| 14 (C) | 40.1 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 41.3 |
| 18 (CH3) | 24.1 |
| 19 (CH3) | 17.7 |
| 20 (C) | 81.2 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 38.3 |
| 23 (CH2) | 25.5 |
| 24 (CH) | 84.3 |
| 25 (C) | 72.1 |
| 26 (CH3) | 23.2 |
| 27 (CH3) | 24.1 |
| 28 (CH3) | 23.7 |
| 29 (CH2) | 65.6 |
| 30 (CH3) | 17.5 |
