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Neoergosterol trimethylsilyl ether
SpectraBase Compound ID H4V1PmIP6QQ
InChI InChI=1S/C30H48OSi/c1-20(2)21(3)9-10-22(4)28-15-16-29-27-13-11-23-19-24(31-32(6,7)8)12-14-25(23)26(27)17-18-30(28,29)5/h9-11,13,20-22,24,28-29H,12,14-19H2,1-8H3/b10-9+/t21-,22+,24-,28+,29?,30+/m0/s1
InChIKey ITPJSZMGWOGMNS-AKZSNSKHSA-N
Mol Weight 452.8 g/mol
Molecular Formula C30H48OSi
Exact Mass 452.347443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ttAbrikXqp
Name Neoergosterol trimethylsilyl ether
Alternate Name(s) (3beta,17beta)-17-[(1R,2E,4R)-1,4,5-trimethyl-2-hexenyl]-3-[(trimethylsilyl)oxy]estra-5,7,9-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48OSi
InChI InChI=1S/C30H48OSi/c1-20(2)21(3)9-10-22(4)28-15-16-29-27-13-11-23-19-24(31-32(6,7)8)12-14-25(23)26(27)17-18-30(28,29)5/h9-11,13,20-22,24,28-29H,12,14-19H2,1-8H3/b10-9+/t21-,22+,24-,28+,29?,30+/m0/s1
InChIKey ITPJSZMGWOGMNS-AKZSNSKHSA-N
Molecular Weight 452.798 g/mol
SMILES [C@@]12(C(c3ccc4c(c3CC2)CC[C@](O[Si](C)(C)C)(C4)[H])CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C
SPLASH splash10-03ei-0942000000-40fd66c4204d277ea2ec
Source of Spectrum KO-3-83-1
Wiley ID 1388402