Spektraris NMR
13-epi-homoverrucosan-5b,6b-diol-8-one
Common Name: 13-epi-homoverrucosan-5b,6b-diol-8-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-11(2)13-6-7-19(4)10-16(22)20(5)14(17(13)19)8-12(3)9-15(21)18(20)23/h8,11,13-15,17-18,21,23H,6-7,9-10H2,1-5H3/t13-,14-,15+,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=HGDMSESHMACQLG-ZFEHHOQYSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valcic, S., Huch, V., Veith, M., Becker, H. Phytochemistry (1995) 40, 199-203
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Homoverrucosanes; 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 (CH) | 34.3 |
| 2 (CH) | 129 |
| 3 (C) | 134.1 |
| 4 (CH2) | 39.7 |
| 5 (CH) | 66.6 |
| 6 (CH) | 76.5 |
| 7 (C) | 55.1 |
| 8 (C) | 216.6 |
| 9 (CH2) | 53.7 |
| 10 (C) | 43.6 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 24.6 |
| 13 (CH) | 44.2 |
| 14 (CH) | 50.7 |
| 15 (CH) | 28.6 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 23.8 |
| 18 (CH3) | 25 |
| 19 (CH3) | 17.1 |
| 20 (CH3) | 19.8 |
