Spektraris NMR
Oxaspirosuberitenone
Common Name: Oxaspirosuberitenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-15-18(29)12-17-21(30)22(15)32-27(17)11-8-20-25(5,14-27)13-19(31-16(2)28)23-24(3,4)9-7-10-26(20,23)6/h15,17,19-23,30H,7-14H2,1-6H3/t15-,17+,19-,20+,21-,22-,23+,25+,26-,27-/m1/s1
InChIKey: InChIKey=ADMZBYSSCXRYIV-BOFZKJAKSA-N
Formula: C27H42O5
Molecular Weight: 446.620406
Exact Mass: 446.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Diaz-Marrero, A.R., Brito, I., Cueto, M., San-Martin, A., Darias, J. Tetrahedron Lett (2004) 45, 4707-10
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Suberitanes; 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) | 42.3 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 44.7 |
| 4 (C) | 34.4 |
| 5 (CH) | 57.2 |
| 6 (CH) | 71.1 |
| 7 (CH2) | 47.1 |
| 8 (C) | 35.3 |
| 9 (CH) | 59.1 |
| 10 (C) | 37.5 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 38.2 |
| 13 (C) | 85.1 |
| 14 (CH2) | 56.4 |
| 15 (CH3) | 33.3 |
| 16 (CH3) | 23.4 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 17.6 |
| 19 (CH) | 50.6 |
| 20 (CH) | 80.9 |
| 21 (CH) | 85.3 |
| 22 (CH) | 50.6 |
| 23 (C) | 211.6 |
| 24 (CH2) | 43.8 |
| 25 (CH3) | 12.8 |
| 6a (C) | 170.8 |
| 6b (CH3) | 22.2 |
