Spektraris NMR
14b,15b-Epoxy-21b-hydroxyserratan-3-one
Common Name: 14b,15b-Epoxy-21b-hydroxyserratan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)18-10-13-27(5)17-30-20(9-8-19(27)28(18,6)14-11-22(25)31)29(7)15-12-23(32)26(3,4)21(29)16-24(30)33-30/h18-21,23-24,32H,8-17H2,1-7H3/t18-,19-,20+,21-,23+,24+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=WJQPKWTTWYJTHP-PHCGSEMWSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, R., Tsujimoto, K., In, Y., Ishida, T., Matsunaga, S., Terada, Y. J Nat Prod (2001) 64, 1044-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 39.6 |
| 2 (CH2) | 34 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 43.3 |
| 8 (C) | 37 |
| 9 (CH) | 62.6 |
| 10 (C) | 39 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 56.6 |
| 14 (C) | 61.1 |
| 15 (CH) | 59.3 |
| 16 (CH2) | 22.7 |
| 17 (CH) | 37.9 |
| 18 (C) | 35.2 |
| 19 (CH2) | 31.7 |
| 20 (CH2) | 25.1 |
| 21 (CH) | 75.6 |
| 22 (C) | 37.7 |
| 23 (CH3) | 26.9 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 19.9 |
| 27 (CH2) | 55.2 |
| 28 (CH3) | 14.8 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 27.7 |
