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2.beta.,3.beta.-Dihydro-3'H-cyclopropa[2,3]cholestan-5.alpha.-ol
SpectraBase Compound ID 2MNUKPwE1oz
InChI InChI=1S/C28H48O/c1-18(2)7-6-8-19(3)23-9-10-24-22-11-14-28(29)17-21-15-20(21)16-27(28,5)25(22)12-13-26(23,24)4/h18-25,29H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28-/m1/s1
InChIKey VWDIXVLRGSGJQL-AMAVMFJPSA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61RxAdmwHK7
Name 2.beta.,3.beta.-Dihydro-3'H-cyclopropa[2,3]cholestan-5.alpha.-ol
Alternate Name(s) (1R,3aS,3bS,5aR,6aR,7aS,8aR,8bS,10aR)-1-[(1R)-1,5-dimethylhexyl]-8a,10a-dimethylhexadecahydrocyclopenta[a]cyclopropa[h]phenanthren-5a(1H)-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O
InChI InChI=1S/C28H48O/c1-18(2)7-6-8-19(3)23-9-10-24-22-11-14-28(29)17-21-15-20(21)16-27(28,5)25(22)12-13-26(23,24)4/h18-25,29H,6-17H2,1-5H3/t19-,20+,21-,22+,23-,24+,25+,26-,27-,28-/m1/s1
InChIKey VWDIXVLRGSGJQL-AMAVMFJPSA-N
Molecular Weight 400.691 g/mol
SMILES O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(CC2)[H])[H])(C[C@]2([C@@](C1)(C2)[H])[H])C
SPLASH splash10-001i-0009000000-392c0b4b40a0d6f507b3
Source of Spectrum J-62-2979-7
Wiley ID 1369829