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Pregn-5-en-3-ol, 20-[2-(1-methylethenyl)cyclopropyl]-, (3.beta.,20R)-
SpectraBase Compound ID BllIrpf6rbD
InChI InChI=1S/C27H42O/c1-16(2)21-15-22(21)17(3)23-8-9-24-20-7-6-18-14-19(28)10-12-26(18,4)25(20)11-13-27(23,24)5/h6,17,19-25,28H,1,7-15H2,2-5H3/t17-,19+,20+,21?,22?,23-,24+,25+,26+,27-/m1/s1
InChIKey WKRJHIKOGBFGDA-YVUABUQSSA-N
Mol Weight 382.6 g/mol
Molecular Formula C27H42O
Exact Mass 382.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Sv3LFLGm18
Name Pregn-5-en-3-ol, 20-[2-(1-methylethenyl)cyclopropyl]-, (3.beta.,20R)-
CAS Registry Number 71472-74-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42O
InChI InChI=1S/C27H42O/c1-16(2)21-15-22(21)17(3)23-8-9-24-20-7-6-18-14-19(28)10-12-26(18,4)25(20)11-13-27(23,24)5/h6,17,19-25,28H,1,7-15H2,2-5H3/t17-,19+,20+,21?,22?,23-,24+,25+,26+,27-/m1/s1
InChIKey WKRJHIKOGBFGDA-YVUABUQSSA-N
Molecular Weight 382.632 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](C5C(C(=C)C)C5)(C)[H])(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-00di-0093000000-402f32b3e6de4654610d
Source of Spectrum H-62-1644-0
Synonyms (3beta,20R)-20-(2-isopropenylcyclopropyl)pregn-5-en-3-ol 3.beta.-hydroxy-22,23-methano-26,27-dinor-ergosta-5,24(28)-diene
Wiley ID 1360897