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3-ANDROSTAN-3-YLANDROSTANE
SpectraBase Compound ID 1cnDdNYHj1T
InChI InChI=1S/C38H62/c1-35-17-5-7-31(35)29-11-9-27-23-25(13-21-37(27,3)33(29)15-19-35)26-14-22-38(4)28(24-26)10-12-30-32-8-6-18-36(32,2)20-16-34(30)38/h25-34H,5-24H2,1-4H3/t25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey SHQOGXVVJHVCNL-WWEVXDBASA-N
Mol Weight 518.9 g/mol
Molecular Formula C38H62
Exact Mass 518.485152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aovCS5NCfj
Name 3-ANDROSTAN-3-YLANDROSTANE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 518.485151996 u
Formula C38H62
InChI InChI=1S/C38H62/c1-35-17-5-7-31(35)29-11-9-27-23-25(13-21-37(27,3)33(29)15-19-35)26-14-22-38(4)28(24-26)10-12-30-32-8-6-18-36(32,2)20-16-34(30)38/h25-34H,5-24H2,1-4H3/t25?,26?,27?,28?,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey SHQOGXVVJHVCNL-WWEVXDBASA-N
Molecular Weight 518.914 g/mol
Nominal Mass 518 u
Number of Peaks 136
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2C1)[H])[H])C)[H])C)C1CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCC2C1)[H])[H])C)[H])C
SPLASH splash10-0gba-7953160000-2b822d08c50cff4bfa8c
Source File Reference LMCM-94031-728R
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms 3,3'-BISANDROSTANE (1S,2S,10S,11S,15S)-5-[(1S,2S,10S,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane
Wiley ID 8_20604