Spektraris NMR
Honulactone D
Common Name: Honulactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H50O7/c1-18(34)16-27(36)40-26-17-25-31(6)14-9-13-30(5,20(3)39-21(4)35)23(31)12-15-32(25,7)24-11-10-22-19(2)38-29(37)28(22)33(24,26)8/h18-20,23-26,34H,9-17H2,1-8H3/t18?,19-,20?,23+,24+,25-,26+,30-,31+,32+,33-/m1/s1
InChIKey: InChIKey=CCSDAFQOJRPGKA-DVFCBSRDSA-N
Formula: C33H50O7
Molecular Weight: 558.747157
Exact Mass: 558.355654
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jimenez, J.I., Yoshida, W.Y., Scheuer, P.J., Lobkovsky, E., Clardy, J., Kelly, M. J Org Chem (2000) 65, 6837-40
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 40.3 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 38.9 |
| 4 (C) | 39.2 |
| 5 (CH) | 58.8 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 42.3 |
| 8 (C) | 37.5 |
| 9 (CH) | 53.7 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH) | 74.4 |
| 13 (C) | 38.3 |
| 14 (CH) | 51 |
| 15 (CH2) | 16.7 |
| 16 (CH2) | 24 |
| 17 (C) | 164.3 |
| 18 (C) | 132.6 |
| 19 (CH3) | 23.1 |
| 20 (CH) | 73.1 |
| 21 (CH3) | 16.6 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 21.4 |
| 24 (CH) | 78.1 |
| 25 (C) | 171.3 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 15.7 |
| 12a (C) | 171.4 |
| 12b (CH2) | 43.3 |
| 12c (CH) | 64.2 |
| 12d (CH3) | 22.2 |
| 20a (C) | 170.3 |
| 20b (CH3) | 21.8 |
