SpectraBase Compound ID | 373uDRcqFgk |
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InChI | InChI=1S/C40H32/c1-2-10-34-21-23-36(24-22-34)12-5-6-14-38-29-31-40(32-30-38)16-8-7-15-39-27-25-37(26-28-39)13-4-3-11-35-19-17-33(9-1)18-20-35/h1-32H/b2-1+,4-3+,6-5+,8-7+,9-1-,10-2+,11-3+,12-5+,13-4+,14-6+,15-7+,16-8-,33-9-,34-10-,35-11+,36-12-,37-13-,38-14-,39-15-,40-16+ |
InChIKey | XEHJEFWXLAUWDK-AJLJKUGMSA-N |
Mol Weight | 512.7 g/mol |
Molecular Formula | C40H32 |
Exact Mass | 512.250401 g/mol |
SpectraBase Spectrum ID | 8EiIlBzhOao |
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Name | Pentacyclo[28.2.2.2(6,9).2(14,17).2(22,25)]tetraconta-2,4,6,8,10,12,14,16,1 8,20,22,24,26,28,30,32,33,35,37,39-eicosaene, (Z,Z,Z,Z,E,E,E,E)- |
CAS Registry Number | 73377-22-7 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C40H32 |
InChI | InChI=1S/C40H32/c1-2-10-34-21-23-36(24-22-34)12-5-6-14-38-29-31-40(32-30-38)16-8-7-15-39-27-25-37(26-28-39)13-4-3-11-35-19-17-33(9-1)18-20-35/h1-32H/b2-1+,4-3+,6-5+,8-7+,9-1-,10-2+,11-3+,12-5+,13-4+,14-6+,15-7+,16-8-,33-9-,34-10-,35-11+,36-12-,37-13-,38-14-,39-15-,40-16+ |
InChIKey | XEHJEFWXLAUWDK-AJLJKUGMSA-N |
Molecular Weight | 512.696 g/mol |
SMILES | C=1\C=2C=C\C(C1)=C\C=C\C=C/1C=C\C(C=C1)=C/C=C/C=C/1C=C\C(=C/C=C/C=C\3C=C\C(=C/C=C/C/2)C=C3)C=C1 |
SPLASH | splash10-03di-0430090000-128bfb7c1f3c724cad8a |
Source of Spectrum | SB-33-465-0 |
Synonyms | Pentacyclo-[2.2.2.2](6,9)[2](14,17)[2](22,25)tetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,35,37,39-eicosaene Pentacyclo[28.2.2.2(6,9).2(14,17).2(22,25)]tetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosaene Pentacyclo[28.2.2.2(6,9).2(14,17).2(22,25)]tetraconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,33,35,37,39-eicosaene |
Wiley ID | 1400934 |