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4-METHOXY-17-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ANDROST-4-EN-3-ONE
SpectraBase Compound ID G4Z1pEAvBXz
InChI InChI=1S/C25H38O4/c1-24-14-12-20(26)23(27-3)19(24)8-7-16-17-9-10-21(25(17,2)13-11-18(16)24)29-22-6-4-5-15-28-22/h16-18,21-22H,4-15H2,1-3H3/t16-,17-,18-,21?,22?,24+,25-/m0/s1
InChIKey VBEQPKFIDKCKMJ-FLGOJQTMSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Zb1Dz5L5o8
Name 4-METHOXY-17-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ANDROST-4-EN-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-24-14-12-20(26)23(27-3)19(24)8-7-16-17-9-10-21(25(17,2)13-11-18(16)24)29-22-6-4-5-15-28-22/h16-18,21-22H,4-15H2,1-3H3/t16-,17-,18-,21?,22?,24+,25-/m0/s1
InChIKey VBEQPKFIDKCKMJ-FLGOJQTMSA-N
Molecular Weight 402.575 g/mol
Nominal Mass 402 u
Number of Peaks 216
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2=C1OC)[H])[H])OC1CCCCO1)C)[H])C)=O
SPLASH splash10-000i-9100000000-c47a8558448bd63ebe06
Source File Reference LMCM-82493-475G
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (1S,2R,10R,11S,15S)-6-methoxy-2,15-dimethyl-14-(oxan-2-yloxy)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one
Wiley ID 8_11356