Spektraris NMR
Cycloartan-23E-ene-1a,2a,3b,25-tetrol
Common Name: Cycloartan-23E-ene-1a,2a,3b,25-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-18(9-8-13-25(2,3)34)19-12-14-28(7)21-11-10-20-26(4,5)23(32)22(31)24(33)30(20)17-29(21,30)16-15-27(19,28)6/h8,13,18-24,31-34H,9-12,14-17H2,1-7H3/b13-8+/t18-,19-,20+,21+,22+,23+,24+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=AAUDVCPRPMQVGQ-NLTJIPSISA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
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) | 76 |
| 2 (CH) | 73.1 |
| 3 (CH) | 77.7 |
| 4 (C) | 40.8 |
| 5 (CH) | 39.8 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 48 |
| 9 (C) | 20 |
| 10 (C) | 30 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.4 |
| 14 (C) | 49.1 |
| 15 (CH2) | 35.8 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 29.3 |
| 20 (CH) | 36.7 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 39.7 |
| 23 (CH) | 128.5 |
| 24 (CH) | 137.1 |
| 25 (C) | 81.1 |
| 26 (CH3) | 25.1 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 26.5 |
| 29 (CH3) | 15.1 |
| 30 (CH3) | 19.4 |
