Spektraris NMR
28-Formyl Sipholenol A
Common Name: 28-Formyl Sipholenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-26(2)20(19(18-31)8-9-22-21(26)12-16-29(22,6)33)10-11-23-28(5)15-13-24(32)27(3,4)35-25(28)14-17-30(23,7)34/h8,18,20-25,32-34H,9-17H2,1-7H3/t20-,21+,22+,23+,24+,25+,28+,29+,30-/m0/s1
InChIKey: InChIKey=BDNMFPOVAWCGRX-KOHQYJKCSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jain, S., Laphookhieo, S., Shi, Z., Fu, L.W., Akiyama, S., Chen, Z.S., Youssef, D.T., van Soest, R.W., El Sayed, K.A. J Nat Prod (2007) 70, 928-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Sipholanes; 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 (C) | 42.8 |
| 2 (CH2) | 33.8 |
| 3 (CH2) | 25.1 |
| 4 (CH) | 77.1 |
| 5 (C) | 77.9 |
| 7 (CH) | 76.4 |
| 8 (CH2) | 26.6 |
| 9 (CH2) | 39 |
| 10 (C) | 72.3 |
| 11 (CH) | 55.7 |
| 12 (CH2) | 26.2 |
| 13 (CH2) | 33.4 |
| 14 (CH) | 46 |
| 15 (C) | 149.8 |
| 16 (CH) | 152.1 |
| 17 (CH2) | 26.4 |
| 18 (CH) | 47.2 |
| 19 (C) | 82 |
| 20 (CH2) | 37.2 |
| 21 (CH2) | 24.8 |
| 22 (CH) | 52.6 |
| 23 (C) | 34.6 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 21.5 |
| 26 (CH3) | 29.1 |
| 27 (CH3) | 29.9 |
| 28 (CH) | 194.8 |
| 29 (CH3) | 25.8 |
| 30 (CH3) | 29.2 |
| 31 (CH3) | 31.4 |
