Spektraris NMR
Honulactone H
Common Name: Honulactone H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O6/c1-16-15-31(16)10-7-9-28(4)20(31)8-11-29(5)21(28)14-23(37-24(34)12-17(2)32)30(6)22(29)13-19(33)25-18(3)36-27(35)26(25)30/h16-23,32-33H,7-15H2,1-6H3/t16-,17?,18+,19+,20+,21+,22-,23-,28-,29+,30+,31-/m0/s1
InChIKey: InChIKey=GMPQFFRAVQYLDF-LSKKXCJLSA-N
Formula: C31H46O6
Molecular Weight: 514.694517
Exact Mass: 514.329439
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) | 39.7 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 33 |
| 4 (C) | 22.6 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 39.9 |
| 8 (C) | 36.7 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.8 |
| 11 (CH2) | 21.1 |
| 12 (CH) | 74.2 |
| 13 (C) | 39 |
| 14 (CH) | 45.9 |
| 15 (CH2) | 27.7 |
| 16 (CH) | 62.9 |
| 17 (C) | 160.8 |
| 18 (C) | 135.5 |
| 19 (CH2) | 13.6 |
| 20 (CH) | 13.4 |
| 21 (CH3) | 16.8 |
| 22 (CH3) | 13.9 |
| 23 (CH3) | 19.7 |
| 24 (CH) | 78.9 |
| 25 (C) | 170.8 |
| 26 (CH3) | 19.8 |
| 27 (CH3) | 13.1 |
| 12a (C) | 171.5 |
| 12b (CH2) | 43.4 |
| 12c (CH) | 64.3 |
| 12d (CH3) | 22.4 |
