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19-NORCHOLESTA-1,3,5-(10),22-TETRAEN-3-OL
SpectraBase Compound ID KdpyMXrf67A
InChI InChI=1S/C26H40O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h9,11,16-18,22-25,27H,5-8,10,12-15H2,1-4H3/t18-,22-,23-,24-,25+,26-/m1/s1
InChIKey HIGFJBWLJMUGFT-XTNBKHNLSA-N
Mol Weight 368.6 g/mol
Molecular Formula C26H40O
Exact Mass 368.307916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NXltJPaaYW
Name 19-norcholesta-1,3,5(10)-trien-3-ol
CAS Registry Number 5918-28-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O
InChI InChI=1S/C26H40O/c1-17(2)6-5-7-18(3)24-12-13-25-23-10-8-19-16-20(27)9-11-21(19)22(23)14-15-26(24,25)4/h9,11,16-18,22-25,27H,5-8,10,12-15H2,1-4H3/t18-,22-,23-,24-,25+,26-/m1/s1
InChIKey HIGFJBWLJMUGFT-XTNBKHNLSA-N
Molecular Weight 368.605 g/mol
SMILES Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H]
SPLASH splash10-02t9-0349000000-34d7fb09dfc69fa9c5ea
Source of Spectrum KC-1990-2203-15
Synonyms (17beta)-17-[(1R)-1,5-dimethylhexyl]estra-1,3,5(10)-trien-3-ol (8S,9S,13R,14S,17R)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Wiley ID 1353455