| SpectraBase Spectrum ID |
KU99jnqGfky |
| Name |
6,9:33,36-Diimino-5,37:10,32-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro-, stereoisomer |
| CAS Registry Number |
85923-08-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C66H70N4O4 |
| InChI |
InChI=1S/C66H70N4O4/c1-3-7-11-23-43-71-59-31-19-15-27-47(59)63-51-35-36-52(67-51)64(48-28-16-20-32-60(48)72-44-24-12-8-4-1)56-40-42-58(70-56)66-50-30-18-22-34-62(50)74-46-26-14-10-6-2-5-9-13-25-45-73-61-33-21-17-29-49(61)65(53-37-38-54(66)68-53)57-41-39-55(63)69-57/h15-22,27-42,67-68H,1-14,23-26,43-46H2/b63-51-,63-55-,64-52-,64-56-,65-53-,65-57-,66-54-,66-58- |
| InChIKey |
PTSNBCVSGZBXIP-HJXYJLIDSA-N |
| Molecular Weight |
983.310 g/mol |
| SMILES |
[nH]1c2c3-c4c(OCCCCCCCCCCCOc5c(-c(c6nc(c-7c8ccc(c(c9nc3cc9)-c3c(OCCCCCCCCCCCOc9c7cccc9)cccc3)[nH]8)cc6)c1cc2)cccc5)cccc4 |
| SPLASH |
splash10-001i-0000000009-142d815cca75d97d8621 |
| Source of Spectrum |
H-70-1188-16 |
| Synonyms |
13,25,44,56-tetraoxa-67,68,73,74-tetraazaundecacyclo[35.25.4.4(6,32).1(2,5).1(33,36).1(63,66).0(7,12).0(26,31).0(38,43).0(57,62).1(69,72)]tetraheptaconta-1,3,5(73),6(72),7,9,11,26(31),27,29,32(69),33(68),34,36,38,40,42,57(62),58,60,63,65,70-tricosaene
cis-5,20:10,15-bis(undecamethylenedioxydi-2,1-phenylene)porphyrin |
| Wiley ID |
1418346 |
![6,9:33,36-Diimino-5,37:10,32-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro-, stereoisomer](/api/spectrum/KU99jnqGfky/structure.png?h=300&w=458 "6,9:33,36-Diimino-5,37:10,32-di[2]pyrrolyl[5]ylidene-16H,43H-tetrabenzo[b,j,y,g1][1,12,24,35]tetraoxacyclohexatetracontin, 17,18,19,20,21,22,23,24,25,26,44,45,46,47,48,49,50,51,52,53-eicosahydro-, stereoisomer")
