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[3]-ladderane

View entire compound with spectra: 1 MS (GC)

[3]-ladderane
SpectraBase Compound ID Kd5ManYn45O
InChI InChI=1S/C30H32O4/c1-3-33-29(31)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(32)34-4-2/h7-10,13-14,21-28H,3-6,11-12H2,1-2H3/t21-,22-,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey JHQFFHXEFUUSSE-NQSJWNNLSA-N
Mol Weight 456.6 g/mol
Molecular Formula C30H32O4
Exact Mass 456.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GowLpfAVhvR
Name [3]-ladderane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O4
InChI InChI=1S/C30H32O4/c1-3-33-29(31)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(32)34-4-2/h7-10,13-14,21-28H,3-6,11-12H2,1-2H3/t21-,22-,23-,24+,25+,26-,27-,28+/m1/s1
InChIKey JHQFFHXEFUUSSE-NQSJWNNLSA-N
Molecular Weight 456.582 g/mol
SMILES [C@@]12([C@@](c3c4ccc(c3)CCc3cc1c(CC4)cc3)([C@@]1([C@]2([C@@]2([C@]1([C@]([C@]2(C(=O)OCC)[H])(C(=O)OCC)[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-0a7i-0931200000-35dec7f67f658ddb9ee4
Source of Spectrum H-2005-580-21
Wiley ID 1562228