Spektraris NMR
Obtusalin
Common Name: Obtusalin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t20-,22-,23+,24-,25+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=HRQKASMTNHWIHD-FQCCYSHTSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui S., Siddiqui B.S., Naeed A., Begura S. Phytochemistry (1989) 28, 3143
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.8 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79.1 |
| 4 (C) | 38 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 125.1 |
| 13 (C) | 138.8 |
| 14 (C) | 42.1 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 26 |
| 17 (C) | 38.8 |
| 18 (CH) | 54 |
| 19 (CH) | 39.5 |
| 20 (CH) | 39.4 |
| 21 (CH2) | 30.7 |
| 22 (CH2) | 35.2 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.8 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 15.7 |
| 27 (CH2) | 69.9 |
| 28 (CH3) | 23.3 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 17.3 |
