Spektraris NMR
14b,15b-Epoxy-3b-hydroxy-9-oxo-11(10f8)-abeolanosta-24-trans-en-26-oic acid
Common Name: 14b,15b-Epoxy-3b-hydroxy-9-oxo-11(10f8)-abeolanosta-24-trans-en-26-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18(24(33)34)9-8-10-19(2)27(6)17-23-30(35-23)28(27,7)15-13-22(32)29(30)16-11-20-25(3,4)21(31)12-14-26(20,29)5/h9,19-21,23,31H,8,10-17H2,1-7H3,(H,33,34)/b18-9+/t19-,20+,21+,23+,26+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=IRAGGNASSAZGAD-OROHWKDHSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira, L.M., Kijjoa, A., Wilairat, R., Nascimento, M.S., Gales, L., Damas, A.M., Silva, A.M., Mondranondra, I.O., Herz, W. J Nat Prod (2004) 67, 2043-7
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) | 34.6 |
| 2 (CH2) | 28.06 |
| 3 (CH) | 79.2 |
| 4 (C) | 37.95 |
| 5 (CH) | 49.21 |
| 6 (CH2) | 21.62 |
| 7 (CH2) | 34.49 |
| 8 (C) | 64.14 |
| 9 (C) | 219.52 |
| 10 (C) | 50.76 |
| 11 (CH2) | 40.14 |
| 12 (CH2) | 30.92 |
| 13 (C) | 46.6 |
| 14 (C) | 79.85 |
| 15 (CH) | 58.21 |
| 16 (CH2) | 41.9 |
| 17 (C) | 44.42 |
| 18 (CH3) | 20.66 |
| 19 (CH3) | 14.82 |
| 20 (CH) | 39.49 |
| 21 (CH3) | 14.77 |
| 22 (CH2) | 31.19 |
| 23 (CH2) | 26.95 |
| 24 (CH) | 144.14 |
| 25 (C) | 127.14 |
| 26 (CH3) | 11.87 |
| 27 (C) | 172.65 |
| 28 (CH3) | 29.52 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 22.83 |
