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CHOLESTAN-7-OL
SpectraBase Compound ID K7KNTDtpzoj
InChI InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h18-25,28H,6-17H2,1-5H3/t19-,20?,21-,22+,23+,24?,25+,26+,27-/m1/s1
InChIKey AYPVMJMMFIKSHY-BHJDKSGOSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mSA2qA9mC
Name CHOLESTAN-7-OL
CAS Registry Number 40071-69-0
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 388.370516165 u
Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h18-25,28H,6-17H2,1-5H3/t19-,20?,21-,22+,23+,24?,25+,26+,27-/m1/s1
InChIKey AYPVMJMMFIKSHY-BHJDKSGOSA-N
Molecular Weight 388.680 g/mol
Nominal Mass 388 u
Number of Peaks 280
SMILES OC1CC2CCCC[C@@]2([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C
SPLASH splash10-0ac4-9842000000-454b298a9f2f41fd638a
Source File Reference LMCM-88347-230R
Synonyms (1S,2S,10R,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-9-ol 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-7-OL
Wiley ID 8_8629