For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-Nitro-5.alpha.-chloestan-2-one
SpectraBase Compound ID 9X6dHZQ7N2D
InChI InChI=1S/C27H45NO3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28(30)31)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,26-,27+/m1/s1
InChIKey CYVYOOGQFLRJME-ABRMLBOZSA-N
Mol Weight 431.7 g/mol
Molecular Formula C27H45NO3
Exact Mass 431.339944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4vndO9yf29S
Name 3-Nitro-5.alpha.-chloestan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO3
InChI InChI=1S/C27H45NO3/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28(30)31)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-24H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24?,26-,27+/m1/s1
InChIKey CYVYOOGQFLRJME-ABRMLBOZSA-N
Molecular Weight 431.661 g/mol
SMILES [C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(N(=O)=O)C(C1)=O)[H])[H])C
SPLASH splash10-003r-2090800000-06f7dba4ca6a3a5604c1
Source of Spectrum AJ-61-4012-11
Synonyms (5alpha)-3-nitrocholestan-2-one
Wiley ID 1382020