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4,23-Binor-3,3-dimethoxy-3,4-secofific-5(24)-ene
SpectraBase Compound ID 8SrnEyQLTbq
InChI InChI=1S/C30H52O2/c1-20(2)22-11-14-25-27(22,4)16-18-29(6)24-13-10-21(3)23(12-15-26(31-8)32-9)28(24,5)17-19-30(25,29)7/h20,22-26H,3,10-19H2,1-2,4-9H3/t22-,23-,24?,25?,27-,28+,29-,30+/m1/s1
InChIKey OGXOHPJTUYVCOA-BMGVNWFESA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFQGdqdWiys
Name 4,23-Binor-3,3-dimethoxy-3,4-secofific-5(24)-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H52O2
InChI InChI=1S/C30H52O2/c1-20(2)22-11-14-25-27(22,4)16-18-29(6)24-13-10-21(3)23(12-15-26(31-8)32-9)28(24,5)17-19-30(25,29)7/h20,22-26H,3,10-19H2,1-2,4-9H3/t22-,23-,24?,25?,27-,28+,29-,30+/m1/s1
InChIKey OGXOHPJTUYVCOA-BMGVNWFESA-N
Molecular Weight 444.744 g/mol
SMILES [C@]12([C@@](C3CCC([C@]([C@@]3(CC2)C)(CCC(OC)OC)[H])=C)(CC[C@]2(C1CC[C@@]2(C(C)C)[H])C)C)C
SPLASH splash10-0ab9-0191000000-91ad1e37566571920b46
Source of Spectrum E1-45-1610-2
Synonyms 4,23-Bisnor-3,3-dimethoxy-3,4-secofilic-5(24)-ene (4R,5S,8S,9R,13R,17R)-4-(3,3-dimethoxypropyl)-5,8,9,13-tetramethyl-3-methylene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene (4R,5S,8S,9R,13R,17R)-4-(3,3-dimethoxypropyl)-5,8,9,13-tetramethyl-3-methylidene-17-propan-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene
Wiley ID 1554057