| SpectraBase Spectrum ID |
BshfeP0Ks4Q |
| Name |
Spiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan]-3'-one, 4'-cyclohexyliden-7'-(Z)-(4-octadecanoyloxybenzoylmethylen)-1'-(4-octadecan |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1018.762555617 u |
| Formula |
C67H102O7 |
| InChI |
InChI=1S/C43H62O5.C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-38(45)47-35-28-26-33(27-29-35)37(44)32-36-41-40(43(36)30-21-17-22-31-43)39(42(46)48-41)34-23-18-16-19-24-34;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)26-23-20-17-16-18-21-23/h26-29,32,40-41H,2-25,30-31H2,1H3;16-18,20-21H,2-15,19,22H2,1H3/b36-32+; |
| InChIKey |
BTSHWGHGZBGVDW-DPKBHDJSSA-N |
| Molecular Weight |
1019.546 g/mol |
| Nominal Mass |
1018 u |
| SMILES |
c1ccc(cc1)OC(=O)CCCCCCCCCCCCCCCCC.C12(\C(C3C2C(=C2CCCCC2)C(=O)O3)=C\C(=O)c2ccc(cc2)OC(=O)CCCCCCCCCCCCCCCCC)CCCCC1 |
![Spiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan]-3'-one, 4'-cyclohexyliden-7'-(Z)-(4-octadecanoyloxybenzoylmethylen)-1'-(4-octadecan](/api/spectrum/BshfeP0Ks4Q/structure.png?h=300&w=458 "Spiro[cyclohexan-1,6'-[2]oxabicyclo[3.2.0]heptan]-3'-one, 4'-cyclohexyliden-7'-(Z)-(4-octadecanoyloxybenzoylmethylen)-1'-(4-octadecan")
