Spektraris NMR
Sodwanone C
Common Name: Sodwanone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-19-9-13-23-27(3,4)24(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-26-30(22,8)18-16-25(32)28(5,6)33-26/h9,13,20,22-23,26H,10-12,14-18H2,1-8H3/t20-,22-,23+,26+,29-,30+/m1/s1
InChIKey: InChIKey=RXUGMNVIJAZLLP-LHZUPFLRSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1994) 57, 1416-23
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sodwananes; 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 |
|---|---|
| 2 (C) | 82.3 |
| 3 (C) | 218.1 |
| 4 (CH2) | 35.2 |
| 5 (CH2) | 40.4 |
| 6 (C) | 41.3 |
| 7 (CH) | 82.2 |
| 8 (CH2) | 26.3 |
| 9 (CH2) | 31.2 |
| 10 (CH) | 28.3 |
| 11 (CH) | 51.3 |
| 12 (CH2) | 27.1 |
| 13 (CH2) | 34.3 |
| 14 (C) | 142.5 |
| 15 (C) | 125.2 |
| 16 (CH) | 124.2 |
| 17 (CH) | 131 |
| 18 (CH) | 53.4 |
| 19 (C) | 40.6 |
| 20 (CH2) | 26.4 |
| 21 (CH2) | 34.5 |
| 22 (C) | 215.8 |
| 23 (C) | 47.2 |
| 24 (CH3) | 20.5 |
| 25 (CH3) | 26.4 |
| 26 (CH3) | 13.4 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 17.7 |
| 29 (CH3) | 15 |
| 30 (CH3) | 22.8 |
| 31 (CH3) | 24.8 |
