Spektraris NMR
Cavernosolide 25-acetate
Common Name: Cavernosolide 25-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O7/c1-16(30)33-25-18-8-9-23-28(5,13-10-22-27(3,4)11-7-12-29(22,23)6)20(18)15-21(35-25)19-14-24(32)36-26(19)34-17(2)31/h14,18,20-23,25-26H,7-13,15H2,1-6H3/t18-,20+,21+,22-,23-,25-,26-,28-,29-/m0/s1
InChIKey: InChIKey=MZXCAKUNUVJPJS-DDIXJJGRSA-N
Formula: C29H42O7
Molecular Weight: 502.640687
Exact Mass: 502.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DeRosa, S., Crispino, A., DeGiulio, A., Iodice, C., Tommonaro, G. J Nat Prod (1997) 60, 844-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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) | 39.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42 |
| 4 (C) | 33.4 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 40.5 |
| 8 (C) | 37.5 |
| 9 (CH) | 59.6 |
| 10 (C) | 36.4 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 38.3 |
| 14 (CH) | 51.9 |
| 15 (CH2) | 27.9 |
| 16 (CH) | 71 |
| 17 (C) | 165.3 |
| 18 (CH) | 118.2 |
| 19 (C) | 168.5 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.4 |
| 22 (CH3) | 16.3 |
| 23 (CH3) | 15 |
| 24 (CH) | 97.8 |
| 25 (CH) | 92.6 |
| 24a (C) | 169.5 |
| 24b (CH3) | 20.8 |
| 25a (C) | 169.2 |
| 25b (CH3) | 20.5 |
