Spektraris NMR
Supinenolone C
Common Name: Supinenolone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-18,21-23,33H,9-16H2,1-8H3/t18-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=TWWFTEIDBDUQPG-WQXOLHOHSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R. Matsunaga S. Phytochemistry (1989) 28, 3149
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 34.4 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.1 |
| 4 (C) | 38.6 |
| 5 (CH) | 48 |
| 6 (CH2) | 36.7 |
| 7 (C) | 199.9 |
| 8 (C) | 151.9 |
| 9 (C) | 156 |
| 10 (C) | 38.2 |
| 11 (C) | 201.1 |
| 12 (CH2) | 51.1 |
| 13 (C) | 38.5 |
| 14 (C) | 41.6 |
| 15 (CH2) | 26.4 |
| 16 (CH2) | 35.8 |
| 17 (C) | 42.6 |
| 18 (C) | 50.8 |
| 19 (CH2) | 20.4 |
| 20 (CH2) | 28.9 |
| 21 (CH) | 59.5 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 27.5 |
| 24 (CH3) | 14.9 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 20.8 |
| 28 (CH3) | 14 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 22 |
