Spektraris NMR
Cavernosolide
Common Name: Cavernosolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O6/c1-15(28)31-24-16-7-8-21-26(4,12-9-20-25(2,3)10-6-11-27(20,21)5)18(16)14-19(32-24)17-13-22(29)33-23(17)30/h13,16,18-21,23-24,30H,6-12,14H2,1-5H3/t16-,18+,19+,20-,21-,23?,24-,26-,27-/m0/s1
InChIKey: InChIKey=RVWQZLJUVIFAOY-NCHAJKGWSA-N
Formula: C27H40O6
Molecular Weight: 460.603929
Exact Mass: 460.282489
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) | 40.4 |
| 8 (C) | 37.5 |
| 9 (CH) | 59.4 |
| 10 (C) | 36.6 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 27.6 |
| 13 (CH) | 38.6 |
| 14 (CH) | 52 |
| 15 (CH2) | 28.7 |
| 16 (CH) | 71.9 |
| 17 (C) | 166.8 |
| 18 (CH) | 117.5 |
| 19 (C) | 170.2 |
| 20 (CH3) | 33.3 |
| 21 (CH3) | 21.4 |
| 22 (CH3) | 16.3 |
| 23 (CH3) | 15 |
| 24 (CH) | 98.1 |
| 25 (CH) | 97.3 |
| 24a (C) | 170.4 |
| 24b (CH3) | 21.1 |
