Spektraris NMR
(5ξ,22R,23E)-25-Hydroxy-3-oxolanosta-8,23-dien-22-yl acetate
Common Name: (5ξ,22R,23E)-25-Hydroxy-3-oxolanosta-8,23-dien-22-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-20(25(36-21(2)33)14-16-28(3,4)35)22-12-18-32(9)24-10-11-26-29(5,6)27(34)15-17-30(26,7)23(24)13-19-31(22,32)8/h14,16,20,22,25-26,35H,10-13,15,17-19H2,1-9H3/b16-14+/t20-,22+,25+,26-,30+,31+,32-/m0/s1
InChIKey: InChIKey=HIOCTGSCXFLFKE-OPZSKAJMSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kanokmedhakul, S., Kanokmedhakul, K., Prajuabsuk, T., Soytong, K., Kongsaeree, P., Suksamrarn, A. Planta Med (2003) 69, 568-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 36.5 |
| 2 (CH2) | 34.9 |
| 3 (C) | 218.2 |
| 4 (C) | 47.7 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 27.5 |
| 8 (C) | 135.5 |
| 9 (C) | 133.7 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.8 |
| 13 (C) | 45.1 |
| 14 (C) | 49.9 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 31.2 |
| 17 (CH) | 47.5 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 40.8 |
| 21 (CH3) | 13.7 |
| 22 (CH) | 77.1 |
| 23 (CH) | 121.1 |
| 24 (CH) | 142.6 |
| 25 (C) | 71.1 |
| 26 (CH3) | 30.4 |
| 27 (CH3) | 30.2 |
| 28 (CH3) | 26.6 |
| 29 (CH3) | 24.6 |
| 30 (CH3) | 21.9 |
| 22a (C) | 170.6 |
| 22b (CH3) | 24.4 |
