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

*Links on SpectraBase are not permalinks.
2-Acetoxy-7-formyl-4a,7-dimethyl-8-(3-chloroprop-2-yn-1-yl)decahydrophenanthrene
SpectraBase Compound ID 8eN5AFqszLS
InChI InChI=1S/C22H29ClO3/c1-15(25)26-17-8-11-22(3)16(13-17)6-7-18-19(5-4-12-23)21(2,14-24)10-9-20(18)22/h6,14,17-20H,5,7-11,13H2,1-3H3/t17-,18-,19-,20-,21+,22-/m0/s1
InChIKey IGVARCAUFOFRCZ-LLTZGFESSA-N
Mol Weight 376.92 g/mol
Molecular Formula C22H29ClO3
Exact Mass 376.180522 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 IUftvYPd8S0
Name 2-Acetoxy-7-formyl-4a,7-dimethyl-8-(3-chloroprop-2-yn-1-yl)decahydrophenanthrene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29ClO3
InChI InChI=1S/C22H29ClO3/c1-15(25)26-17-8-11-22(3)16(13-17)6-7-18-19(5-4-12-23)21(2,14-24)10-9-20(18)22/h6,14,17-20H,5,7-11,13H2,1-3H3/t17-,18-,19-,20-,21+,22-/m0/s1
InChIKey IGVARCAUFOFRCZ-LLTZGFESSA-N
Molecular Weight 376.924 g/mol
SMILES [C@]12(C(=CC[C@@]3([C@@]2(CC[C@@](C=O)(C)[C@]3(CC#CCl)[H])[H])[H])C[C@@](OC(=O)C)(CC1)[H])C
SPLASH splash10-014i-0009000000-b18a6a9d0549c68bc596
Source of Spectrum Y1-38-281-7
Synonyms (3beta)-16-(chloromethylene)-17-oxoandrost-5-en-3-yl acetate 3.beta.-Acetoxy-16(E)-chloroethyneneandrost-5-ene-17-al 3.beta.-Acetoxy-16(E)-chloromethyleneandrost-5-ene-17-one
Wiley ID 1527597