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17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-3-VINYLHEXADECAHYDROCYCLOPENTA[a]PHENANTHREN-3-OL
SpectraBase Compound ID 5uHxrWFMxI6
InChI InChI=1S/C29H50O/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h7,20-26,30H,1,8-19H2,2-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29?/m1/s1
InChIKey AUBQGIIWQRESTG-RDKCYIQVSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4khhbcQaLQ
Name 17-(1,5-DIMETHYL-HEXYL)-10,13-DIMETHYL-3-VINYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-3-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 414.386166229 u
Formula C29H50O
InChI InChI=1S/C29H50O/c1-7-29(30)18-17-27(5)22(19-29)11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)28(25,6)16-15-26(23)27/h7,20-26,30H,1,8-19H2,2-6H3/t21-,22?,23+,24-,25+,26+,27+,28-,29?/m1/s1
InChIKey AUBQGIIWQRESTG-RDKCYIQVSA-N
Molecular Weight 414.718 g/mol
Nominal Mass 414 u
Number of Peaks 291
SMILES OC1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2C1)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)C=C
SPLASH splash10-0a5c-9841100000-38f299093a187266a4d2
Source File Reference LMCM-78564-557Q
Synonyms 3-VINYLCHOLESTAN-3-OL (1S,2S,10R,11S,14R,15R)-5-ethenyl-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-ol
Wiley ID 8_8667