Spektraris NMR
Sigmosceptrellin D
Common Name: Sigmosceptrellin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H46O6/c1-19(2)11-8-15-24(5,30-27)16-9-12-20(3)13-10-17-25(6)18-14-22(29-31-25)21(4)23(26)28-7/h11,20-22,27H,8-10,12-18H2,1-7H3/t20?,21-,22-,24?,25-/m1/s1
InChIKey: InChIKey=AYCLDPXVKFLDMY-MJNOOZNTSA-N
Formula: C25H46O6
Molecular Weight: 442.630102
Exact Mass: 442.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ovenden, S.P.B., Capon, R.J. J Nat Prod (1999) 62, 214-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (C) | 174.2 |
| 2 (CH) | 42.9 |
| 3 (CH) | 80.5 |
| 4 (CH2) | 23.5 |
| 5 (CH2) | 32.3 |
| 6 (C) | 81.3 |
| 7 (CH2) | 35.6 |
| 8 (CH2) | 22.3 |
| 9 (CH2) | 43.2 |
| 10 (CH) | 37.8 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 32.8 |
| 13 (CH2) | 30.4 |
| 14 (C) | 77.2 |
| 15 (CH2) | 32.6 |
| 16 (CH2) | 21.8 |
| 17 (CH) | 124.7 |
| 18 (C) | 131.7 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 13.5 |
| 21 (CH3) | 20.2 |
| 22 (CH3) | 12.7 |
| 23 (CH3) | 16.9 |
| 24 (CH3) | 17.6 |
| 1a (CH3) | 51.8 |
