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19-Norcholesta-1(10),5-dien-3-ol, acetate, (3.beta.)-
SpectraBase Compound ID I9iQJetpKwj
InChI InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)26-13-14-27-25-11-9-21-17-22(30-20(4)29)10-12-23(21)24(25)15-16-28(26,27)5/h9,12,18-19,22,24-27H,6-8,10-11,13-17H2,1-5H3/t19-,22+,24-,25-,26-,27+,28-/m1/s1
InChIKey VJKQYKHVOQXFPN-KOACGZRHSA-N
Mol Weight 412.7 g/mol
Molecular Formula C28H44O2
Exact Mass 412.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mfNLV6tDEa
Name 19-Norcholesta-1(10),5-dien-3-ol, acetate, (3.beta.)-
CAS Registry Number 50888-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O2
InChI InChI=1S/C28H44O2/c1-18(2)7-6-8-19(3)26-13-14-27-25-11-9-21-17-22(30-20(4)29)10-12-23(21)24(25)15-16-28(26,27)5/h9,12,18-19,22,24-27H,6-8,10-11,13-17H2,1-5H3/t19-,22+,24-,25-,26-,27+,28-/m1/s1
InChIKey VJKQYKHVOQXFPN-KOACGZRHSA-N
Molecular Weight 412.658 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4C([C@]3(CC2)[H])=CC[C@](OC(=O)C)(C4)[H])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-0uds-0906000000-9498e20fa363c17a5f2a
Source of Spectrum KC-1990-2202-11
Synonyms (3beta,17beta)-17-[(1R)-1,5-dimethylhexyl]estra-1(10),5-dien-3-yl acetate 19-Norcholesta-1(10),5-dien-3.beta.yl acetate
Wiley ID 1374696