Spektraris NMR
12beta,16beta,25-Trihydroxy-13-methyl-20-oxa-27,28,29,30-tetranorhopane-19-one
Common Name: 12beta,16beta,25-Trihydroxy-13-methyl-20-oxa-27,28,29,30-tetranorhopane-19-one
Synonyms: 12beta,16beta,25-Trihydroxy-13-methyl-20-oxa-27,28,29,30-tetranorhopane-19-one
CAS Registry Number:
InChI: InChI=1S/C26H42O5/c1-14-20-15(28)11-17-24(4)10-7-16-23(2,3)8-6-9-26(16,13-27)18(24)12-19(29)25(17,5)21(20)22(30)31-14/h14-21,27-29H,6-13H2,1-5H3/t14-,15+,16+,17+,18+,19-,20-,21-,24+,25-,26-/m1/s1
InChIKey: InChIKey=VTMWUGQKPBQMGY-UEFHWHCVSA-N
Formula: C26H42O5
Molecular Weight: 434.60967
Exact Mass: 434.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stessman, C.C., Ebel, R., Corvino, A.J., Crews, P. J Nat Prod (2002) 65, 1183-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 34.6 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.1 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 42.4 |
| 8 (C) | 37.5 |
| 9 (CH) | 57.1 |
| 10 (C) | 42.4 |
| 11 (CH2) | 31.2 |
| 12 (CH) | 79.7 |
| 13 (C) | 41.9 |
| 14 (CH) | 58.8 |
| 15 (CH2) | 28.9 |
| 16 (CH) | 72.8 |
| 17 (CH) | 51.6 |
| 18 (CH) | 58.5 |
| 19 (CH3) | 33.9 |
| 20 (CH3) | 21.9 |
| 21 (CH3) | 16.3 |
| 22 (CH2) | 62.8 |
| 23 (CH3) | 12.4 |
| 24 (CH) | 81.9 |
| 25 (C) | 177.7 |
| 26 (CH3) | 20.2 |
