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2-Cholesten-1a-ol

View entire compound with spectra: 1 NMR, and 2 MS (GC)

2-Cholesten-1a-ol
SpectraBase Compound ID 5tdVgEXXySL
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h7,11,18-25,28H,6,8-10,12-17H2,1-5H3
InChIKey XQDAFBDPDPAYMT-UHFFFAOYSA-N
Mol Weight 386.7 g/mol
Molecular Formula C27H46O
Exact Mass 386.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbRlzFUmm8Q
Name 17-(1,5-Dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-ol
Alternate Name(s) 10,13-dimethyl-17-(6-methylheptan-2-yl)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol 17-(1,5-dimethylhexyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-ol Cholest-2-en-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O
InChI InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)22-14-15-23-21-13-12-20-10-7-11-25(28)27(20,5)24(21)16-17-26(22,23)4/h7,11,18-25,28H,6,8-10,12-17H2,1-5H3
InChIKey XQDAFBDPDPAYMT-UHFFFAOYSA-N
Molecular Weight 386.664 g/mol
SMILES OC1C=CCC2CCC3C4C(CCC3C12C)(C)C(CC4)C(CCCC(C)C)C
SPLASH splash10-014i-7923000000-123904631057b3d088d6
Wiley ID 1475367