Spektraris NMR
(22S)-A,B-Dihomo-19-nor-4-oxalanosta-8,24-dien-26,22-olide
Common Name: (22S)-A,B-Dihomo-19-nor-4-oxalanosta-8,24-dien-26,22-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-18-7-9-23(34-26(18)32)19(2)21-12-15-29(6)22-8-10-24-27(3,4)35-25(31)13-16-30(24,33)17-20(22)11-14-28(21,29)5/h7,19,21,23-24,33H,8-17H2,1-6H3/t19-,21+,23+,24-,28+,29-,30-/m0/s1
InChIKey: InChIKey=KTMCGJGORRSIGX-JPTDSSQXSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Dine, R.S.E., Halawany, A.M.E., Nakamura, N., Ma, C.M., Hattori, M. Chem Pharm Bull (2008) 56, 642-6
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) | 27.5 |
| 2 (CH2) | 27.1 |
| 3 (C) | 177.3 |
| 4 (C) | 74.5 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 33.8 |
| 7 (CH2) | 27.1 |
| 8 (C) | 139.2 |
| 9 (C) | 121.7 |
| 10 (C) | 91.5 |
| 11 (CH2) | 33 |
| 12 (CH2) | 30.7 |
| 13 (C) | 44.5 |
| 14 (C) | 50.5 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 45.5 |
| 18 (CH3) | 15.5 |
| 19 (CH2) | 41.5 |
| 20 (CH) | 40.3 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 80.1 |
| 23 (CH2) | 27.9 |
| 24 (CH) | 139.7 |
| 25 (C) | 128 |
| 26 (C) | 166.5 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 32 |
| 29 (CH3) | 25.2 |
| 30 (CH3) | 24.5 |
