Spektraris NMR
24R,25-epoxycycloartane-1a,2a,3b-triol
Common Name: 24R,25-epoxycycloartane-1a,2a,3b-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-17(8-11-21-26(4,5)34-21)18-12-13-28(7)20-10-9-19-25(2,3)23(32)22(31)24(33)30(19)16-29(20,30)15-14-27(18,28)6/h17-24,31-33H,8-16H2,1-7H3/t17-,18-,19+,20+,21+,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=PLPHJSOUSSYYDP-WHOHWQPRSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, T., Yuan, H.Q., Wan, W.Z., Wang, X.L., Wang, X.N., Ji, M., Lou, H.X. J Nat Prod (2008) 71, 81-6
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 (CH) | 75.3 |
| 2 (CH) | 72.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 40.1 |
| 5 (CH) | 39 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 47.9 |
| 9 (C) | 19.9 |
| 10 (C) | 28.7 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 32.6 |
| 13 (C) | 45 |
| 14 (C) | 48.6 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.3 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 25.5 |
| 24 (CH) | 64.8 |
| 25 (C) | 58 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 24.7 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 14.2 |
| 30 (CH3) | 19.2 |
