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1H-Cyclopenta[7,8]phenanthro[2,3-b]furan, cholest-2-eno[3,2-b]furan deriv.
SpectraBase Compound ID Ip6iwMDcpoJ
InChI InChI=1S/C29H50O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-27-21(14-16-30-27)18-29(22,5)26(23)13-15-28(24,25)4/h19-27H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey DGPAUSLUIOECLD-IWYIWMGLSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9WsVJmrv8y
Name 1H-Cyclopenta[7,8]phenanthro[2,3-b]furan, cholest-2-eno[3,2-b]furan deriv.
CAS Registry Number 114670-17-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H50O
InChI InChI=1S/C29H50O/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-17-27-21(14-16-30-27)18-29(22,5)26(23)13-15-28(24,25)4/h19-27H,6-18H2,1-5H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
InChIKey DGPAUSLUIOECLD-IWYIWMGLSA-N
Molecular Weight 414.718 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@@]2(OCC[C@]2(C1)[H])[H])[H])[H])C
SPLASH splash10-0bt9-0080900000-6a2817c14629d7de01d5
Source of Spectrum B-40-1103-19
Synonyms Cholest-2-eno[3,2-b]furan, 2,3,4',5'-tetrahydro-, (2.beta.,3.alpha.,5.alpha.)- (1R,3aS,3bR,5aS,6aS,9aR,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyloctadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]furan Tetrahydrocholest-2-eno[2.alpha.,3.beta.-B]furan
Wiley ID 1375820