Spektraris NMR
(23R,24S)-24,25-Epoxy-23-hydroxytirucalla-6,8-diene-3-one
Common Name: (23R,24S)-24,25-Epoxy-23-hydroxytirucalla-6,8-diene-3-one
Synonyms: (23R,24S)-24,25-Epoxy-23-hydroxytirucalla-6,8-diene-3-one
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9-10,18-19,22-23,25,31H,11-17H2,1-8H3/t18-,19-,22+,23-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=NUZSHFUGTMBPKQ-OQJBKLMFSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, H., Heilmann, J., Rali, T., Sticher, O. J Nat Prod (2001) 64, 159-63
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 34.1 |
| 2 (CH2) | 34.7 |
| 3 (C) | 216.1 |
| 4 (C) | 47.4 |
| 5 (CH) | 52.8 |
| 6 (CH) | 126.2 |
| 7 (CH) | 124.9 |
| 8 (C) | 134.3 |
| 9 (C) | 136.7 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 30.3 |
| 13 (C) | 44 |
| 14 (C) | 48.6 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 13.6 |
| 20 (CH) | 33.8 |
| 21 (CH3) | 20.2 |
| 22 (CH2) | 40.8 |
| 23 (CH) | 69.2 |
| 24 (CH) | 68.4 |
| 25 (C) | 60.3 |
| 26 (CH3) | 19.8 |
| 27 (CH3) | 24.9 |
| 28 (CH3) | 24.6 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 25.5 |
