Spektraris NMR
(23S,25R)-3a-Acetoxy-17,23-epoxy-9,19-cyclo-9b-lanostan-26,23-olide
Common Name: (23S,25R)-3a-Acetoxy-17,23-epoxy-9,19-cyclo-9b-lanostan-26,23-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O5/c1-19-16-31(36-25(19)34)17-20(2)32(37-31)15-12-27(6)23-9-8-22-26(4,5)24(35-21(3)33)10-11-29(22)18-30(23,29)14-13-28(27,32)7/h19-20,22-24H,8-18H2,1-7H3/t19-,20-,22+,23+,24?,27+,28+,29-,30+,31+,32+/m1/s1
InChIKey: InChIKey=ACMCWGMBFMGKAF-QTSKBQKASA-N
Formula: C32H48O5
Molecular Weight: 512.72173
Exact Mass: 512.350175
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - O'Neill, J.A., Gallagher, O.P., Devine, K.J., Jones, P.W., Maguire, A.R. J Nat Prod (2005) 68, 125-8
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) | 25.9 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.8 |
| 5 (CH) | 42.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 49.1 |
| 9 (C) | 20.2 |
| 10 (C) | 26.5 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 28.2 |
| 13 (C) | 49.1 |
| 14 (C) | 49.7 |
| 15 (CH2) | 29.7 |
| 16 (CH2) | 36 |
| 17 (C) | 99.8 |
| 18 (CH3) | 20.6 |
| 19 (CH2) | 29.7 |
| 20 (CH) | 43.2 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 45.1 |
| 23 (C) | 113.5 |
| 24 (CH2) | 36.7 |
| 25 (CH) | 35.6 |
| 26 (C) | 179.4 |
| 27 (CH3) | 15 |
| 28 (CH3) | 20.6 |
| 29 (CH3) | 25.5 |
| 30 (CH3) | 20.8 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
