Spektraris NMR
6β-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide
Common Name: 6β-hydroxy-3-oxo-11α,12α-epoxyolean-28,13β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-24(2)10-12-29-13-11-28(7)27(6)14-16(31)20-25(3,4)18(32)8-9-26(20,5)21(27)19-22(34-19)30(28,17(29)15-24)35-23(29)33/h16-17,19-22,31H,8-15H2,1-7H3/t16-,17-,19+,20+,21-,22+,26+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=BJHPXVYFOSPVSF-PQYJJHRASA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, F., Hua, H., Pei, Y., Chen, D., Jing, Y. J Nat Prod (2006) 69, 807-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 41.3 |
| 2 (CH2) | 34.3 |
| 3 (C) | 215.3 |
| 4 (C) | 49.1 |
| 5 (CH) | 56.3 |
| 6 (CH) | 69.1 |
| 7 (CH2) | 39.5 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 35.9 |
| 11 (CH) | 52.5 |
| 12 (CH) | 57 |
| 13 (C) | 87.2 |
| 14 (C) | 40.8 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 21.2 |
| 17 (C) | 43.8 |
| 18 (CH) | 49.6 |
| 19 (CH2) | 37.8 |
| 20 (C) | 31.5 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 26.7 |
| 23 (CH3) | 23.5 |
| 24 (CH3) | 24.5 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 20.9 |
| 27 (CH3) | 19.1 |
| 28 (C) | 179.2 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.5 |
