| SpectraBase Spectrum ID |
GHCVVefn6sh |
| Name |
(1S,4E,7R,9S,12E,15S,18S)-7,12,15,20,20-pentamethyl-9-[(1E,3E)-2-methylnona-1,3-dienyl]-10,19,21-trioxabicyclo[16.3.0]henicosa-4,12-dien-11-one |
| Appearance |
Colorless syrup |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.402210215 u |
| Formula |
C33H54O4 |
| InChI |
InChI=1S/C33H54O4/c1-8-9-10-11-13-16-26(3)23-29-24-27(4)17-14-12-15-18-30-31(37-33(6,7)36-30)22-20-25(2)19-21-28(5)32(34)35-29/h12-14,16,21,23,25,27,29-31H,8-11,15,17-20,22,24H2,1-7H3/b14-12+,16-13+,26-23+,28-21?/t25-,27-,29-,30+,31+/m1/s1 |
| InChIKey |
WPSMOZBYNQKTOB-JFKIFBGUSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201404873 |
| Molecular Weight |
514.791 g/mol |
| Quality |
172 |
| Reported Formula |
C33H54O4 |
| SMILES |
[C@@]1(C[C@@](C\C=C\CC[C@]2([C@@](OC(O2)(C)C)(CC[C@@](CC=C(C(=O)O1)C)(C)[H])[H])[H])(C)[H])(\C=C\(\C=C\CCCCC)C)[H] |
| SPLASH |
splash10-01ox-9510250000-250cba8b39b3c2e17ae8 |
| Sample Comments |
E/Z = 3:1 |
| Source of Spectrum |
QE-21-SM8-45 (DOI: 10.1002/chem.201404873) |
| Wiley ID |
1906280 |
![(1S,4E,7R,9S,12E,15S,18S)-7,12,15,20,20-pentamethyl-9-[(1E,3E)-2-methylnona-1,3-dienyl]-10,19,21-trioxabicyclo[16.3.0]henicosa-4,12-dien-11-one](/api/spectrum/GHCVVefn6sh/structure.png?h=300&w=458 "(1S,4E,7R,9S,12E,15S,18S)-7,12,15,20,20-pentamethyl-9-[(1E,3E)-2-methylnona-1,3-dienyl]-10,19,21-trioxabicyclo[16.3.0]henicosa-4,12-dien-11-one")
