Spektraris NMR
20(R),24(S)-epoxy-3β,6α,25-trihydroxycycloartan-16-one
Common Name: 20(R),24(S)-epoxy-3β,6α,25-trihydroxycycloartan-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17,19-23,31,33-34H,8-16H2,1-7H3/t17-,19-,20-,21?,22-,23+,26+,27-,28+,29-,30+/m0/s1
InChIKey: InChIKey=GCJBMFXMOKDMRI-ZKYMKREGSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Calis, I., Gazar, H.A., Piacente, S., Pizza, C. J Nat Prod (2001) 64, 1179-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.7 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 78.2 |
| 4 (C) | 41.8 |
| 5 (CH) | 53.5 |
| 6 (CH) | 68.6 |
| 7 (CH2) | 37.7 |
| 8 (CH) | 45.9 |
| 9 (C) | 20.3 |
| 10 (C) | 29.6 |
| 11 (CH2) | 25.6 |
| 12 (CH2) | 31.9 |
| 13 (C) | 44.5 |
| 14 (C) | 42.1 |
| 15 (CH2) | 51 |
| 16 (C) | 218.3 |
| 17 (CH) | 65.2 |
| 18 (CH3) | 20 |
| 19 (CH2) | 30.9 |
| 20 (C) | 84.4 |
| 21 (CH3) | 25.2 |
| 22 (CH2) | 31.9 |
| 23 (CH2) | 26.3 |
| 24 (CH) | 82 |
| 25 (C) | 70.8 |
| 26 (CH3) | 25.1 |
| 27 (CH3) | 28 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 19.6 |
