Spektraris NMR
Serratenediol-3-methyl ether
Common Name: Serratenediol-3-methyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-27(2)22-11-9-20-19-29(5)16-13-23-28(3,4)26(33-8)15-18-31(23,7)24(29)12-10-21(20)30(22,6)17-14-25(27)32/h9,21-26,32H,10-19H2,1-8H3/t21-,22-,23-,24-,25-,26-,29-,30+,31-/m0/s1
InChIKey: InChIKey=HADVFQOSVABMHT-HAIMYCBVSA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang J.M., Tasai W.Y., Cheng Y.S. Phytochemistry (1991) 30, 1333
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) | 38.5 |
| 2 (CH2) | 22.4 |
| 3 (CH) | 88.5 |
| 4 (C) | 38.2 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 45.2 |
| 8 (C) | 38.9 |
| 9 (CH) | 57.2 |
| 10 (C) | 36.1 |
| 11 (CH2) | 25.3 |
| 12 (CH2) | 27.7 |
| 13 (CH) | 62.9 |
| 14 (C) | 138.3 |
| 15 (CH) | 122.1 |
| 16 (CH2) | 24.1 |
| 17 (CH) | 49.5 |
| 18 (C) | 38.9 |
| 19 (CH2) | 29.7 |
| 20 (CH2) | 27.2 |
| 21 (CH) | 79.2 |
| 22 (C) | 37.1 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 19.8 |
| 27 (CH2) | 56.1 |
| 28 (CH3) | 13.4 |
| 29 (CH3) | 14.6 |
| 30 (CH3) | 27.5 |
| 3a (CH3) | 57.5 |
