SpectraBase Compound ID | 2Qop4dOqcUw |
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InChI | InChI=1S/C38H32/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)33(25)37-35(31)29-19-9-10-20-30(29)36-32-23-13-3-7-17-27(23)34(38(36)37)28-18-8-4-14-24(28)32/h1-8,11-18,29-36H,9-10,19-20H2/t29?,30?,31-,32-,33+,34+,35?,36? |
InChIKey | RRBWENYMZIHSCD-UHFFFAOYSA-N |
Mol Weight | 488.7 g/mol |
Molecular Formula | C38H32 |
Exact Mass | 488.250401 g/mol |
SpectraBase Spectrum ID | 4QQnjEwTbqi |
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Name | 5,16[1',2']:10,15[1'',2'']-Dibenzenobenzo[h]pentaphene, 5,5a,5b,6,7,8,9,9a,9b,10,15,16-dodecahydro-, (5a.alpha.,5b.beta.,9a.beta.,9b.alpha.)- |
CAS Registry Number | 120524-17-6 |
Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C38H32 |
InChI | InChI=1S/C38H32/c1-5-15-25-21(11-1)31-22-12-2-6-16-26(22)33(25)37-35(31)29-19-9-10-20-30(29)36-32-23-13-3-7-17-27(23)34(38(36)37)28-18-8-4-14-24(28)32/h1-8,11-18,29-36H,9-10,19-20H2/t29?,30?,31-,32-,33+,34+,35?,36? |
InChIKey | RRBWENYMZIHSCD-UHFFFAOYSA-N |
Molecular Weight | 488.674 g/mol |
SMILES | C12=C3[C@]4(c5ccccc5[C@@](C3C3C(C1[C@@]1(c5ccccc5[C@]2(c2ccccc12)[H])[H])CCCC3)(c1ccccc41)[H])[H] |
SPLASH | splash10-004i-0900000000-b35dac2ad34ee5d896e7 |
Source of Spectrum | J-54-2619-15 |
Synonyms | 5,16[1',2']:10,15[1'',2'']-dibenzenobenzo[H]pentaphene, 5,5a,5b,6,7,8,9,9a,9b,10,15,16-dodecahydro-, (5a.alpha.,5b.beta.,9a.beta.,9b.alpha.)- 5,6,7,8,13,14,1',2',3',4'-Decahydro-5,14:8,13-di-O-benzeno-6,7-benzopentaphene decacyclo[18.6.6.6(4,11).0(2,19).0(3,12).0(5,10).0(13,18).0(21,26).0(27,32).0(33,38)]octatriaconta-2,5,7,9,21,23,25,27,29,31,33,35,37-tridecaene |
Wiley ID | 1397030 |