Spektraris NMR
(22S)-3b,19-Epoxylanosta-8,24-dien-26,22-olide
Common Name: (22S)-3b,19-Epoxylanosta-8,24-dien-26,22-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18-8-10-23(34-26(18)32)19(2)20-12-15-30(6)21-9-11-24-28(3,4)25-14-17-31(24,27(33-7)35-25)22(21)13-16-29(20,30)5/h8,19-20,23-25,27H,9-17H2,1-7H3/t19-,20+,23+,24-,25-,27-,29+,30-,31-/m0/s1
InChIKey: InChIKey=IFLVEWDKEALXIO-PHKMFKKMSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
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) | 29.7 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 77.5 |
| 4 (C) | 36.4 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 25.7 |
| 8 (C) | 137.6 |
| 9 (C) | 128.3 |
| 10 (C) | 39.4 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 31 |
| 13 (C) | 44.3 |
| 14 (C) | 50.4 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 45.7 |
| 18 (CH3) | 15.7 |
| 19 (CH) | 104 |
| 20 (CH) | 40.4 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 80.1 |
| 23 (CH2) | 27.9 |
| 24 (CH) | 139 |
| 25 (C) | 128 |
| 26 (C) | 166.5 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 23.8 |
| 29 (CH3) | 25.7 |
| 30 (CH3) | 23.2 |
| 19a (CH3) | 55.2 |
