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[5]-ladderane

View entire compound with spectra: 1 MS (GC)

[5]-ladderane
SpectraBase Compound ID DlU9VNjEF2M
InChI InChI=1S/C34H36O4/c1-3-37-33(35)31-29-27-25-23-21-19-13-15-5-6-16-8-10-18(12-11-17(19)9-7-15)20(14-16)22(21)24(23)26(25)28(27)30(29)32(31)34(36)38-4-2/h7-10,13-14,21-32H,3-6,11-12H2,1-2H3/t21-,22+,23+,24-,25-,26+,27-,28-,29?,30?,31?,32?/m0/s1
InChIKey SXDJVYJBFIYPTK-ZIGJFJNNSA-N
Mol Weight 508.7 g/mol
Molecular Formula C34H36O4
Exact Mass 508.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gMKmJP7tg
Name [5]-ladderane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H36O4
InChI InChI=1S/C34H36O4/c1-3-37-33(35)31-29-27-25-23-21-19-13-15-5-6-16-8-10-18(12-11-17(19)9-7-15)20(14-16)22(21)24(23)26(25)28(27)30(29)32(31)34(36)38-4-2/h7-10,13-14,21-32H,3-6,11-12H2,1-2H3/t21-,22+,23+,24-,25-,26+,27-,28-,29?,30?,31?,32?/m0/s1
InChIKey SXDJVYJBFIYPTK-ZIGJFJNNSA-N
Molecular Weight 508.658 g/mol
SMILES [C@@]12([C@](c3c4ccc(c3)CCc3cc1c(CC4)cc3)([C@@]1([C@]2([C@@]2([C@]1([C@]1([C@]2(C2C1C(C2C(=O)OCC)C(=O)OCC)[H])[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-0kxu-0980100000-76da363874186c0ec4ce
Source of Spectrum H-2005-581-24
Wiley ID 1562227