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3,5-Cyclocholest-7-ene
SpectraBase Compound ID 4tW1bEsV8xm
InChI InChI=1S/C27H44/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,18-20,22-24H,6-11,13-17H2,1-5H3/t19-,20?,22-,23+,24+,25-,26-,27?/m1/s1
InChIKey XZSGUGWQIOOJAE-XNRUNRFNSA-N
Mol Weight 368.6 g/mol
Molecular Formula C27H44
Exact Mass 368.344301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAz6fihL0E4
Name 3,5-Cyclocholest-7-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44
InChI InChI=1S/C27H44/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h12,18-20,22-24H,6-11,13-17H2,1-5H3/t19-,20?,22-,23+,24+,25-,26-,27?/m1/s1
InChIKey XZSGUGWQIOOJAE-XNRUNRFNSA-N
Molecular Weight 368.649 g/mol
SMILES C123[C@@]([C@]4(CC[C@]5([C@](C4=CC3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCC1C2)C
SPLASH splash10-0gb9-0269000000-e2c70cc19a4638dc8707
Source of Spectrum H-79-997-11
Synonyms (1S,2R,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.0(2,7).0(5,7).0(11,15)]heptadec-9-ene
Wiley ID 1353476