Spektraris NMR
(22S,24Z)-3b ,22,26-trihydroxycycloartan-24-ene
Common Name: (22S,24Z)-3b ,22,26-trihydroxycycloartan-24-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19(17-31)7-8-22(32)20(2)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h7,20-25,31-33H,8-18H2,1-6H3/b19-7-/t20-,21+,22-,23-,24-,25-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=IRZGNRSHJHHKAG-QHXXCARSSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, X.T., Zhang, L.H., Ye, W.C., Zhang, X.L., Yin, Z.Q., Zhao, S.X., Yao, X.S. Chem Pharm Bull (2006) 54, 107-10
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) | 32.4 |
| 2 (CH2) | 31 |
| 3 (CH) | 80.1 |
| 4 (C) | 41.1 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 26.3 |
| 8 (CH) | 48.1 |
| 9 (C) | 20.2 |
| 10 (C) | 26.7 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 36 |
| 13 (C) | 45.6 |
| 14 (C) | 49.2 |
| 15 (CH2) | 33.5 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 18.4 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 41.7 |
| 21 (CH3) | 12.1 |
| 22 (CH) | 73.1 |
| 23 (CH2) | 35.1 |
| 24 (CH) | 125.9 |
| 25 (C) | 137.3 |
| 26 (CH2) | 61.1 |
| 27 (CH3) | 22.3 |
| 28 (CH3) | 25.9 |
| 29 (CH3) | 19.6 |
| 30 (CH3) | 15.5 |
