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

*Links on SpectraBase are not permalinks.
[4aS-(4a.alpha.,7.beta.,10a.beta.)]- and [4aS-(4a.alpha.,7.alpha.,10a.beta.)]-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-7-pentylphenanthrene
SpectraBase Compound ID TBLqaj69wz
InChI InChI=1S/C23H40/c1-6-7-8-14-22(4)16-12-19-18(17-22)10-11-20-21(2,3)13-9-15-23(19,20)5/h20H,6-17H2,1-5H3/t20-,22-,23+/m1/s1
InChIKey SRJWXBLKWICBRQ-MZYLBHOOSA-N
Mol Weight 316.6 g/mol
Molecular Formula C23H40
Exact Mass 316.313001 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 7QH25Waw40C
Name [4aS-(4a.alpha.,7.beta.,10a.beta.)]- and [4aS-(4a.alpha.,7.alpha.,10a.beta.)]-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-7-pentylphenanthrene
CAS Registry Number 87953-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H40
InChI InChI=1S/C23H40/c1-6-7-8-14-22(4)16-12-19-18(17-22)10-11-20-21(2,3)13-9-15-23(19,20)5/h20H,6-17H2,1-5H3/t20-,22-,23+/m1/s1
InChIKey SRJWXBLKWICBRQ-MZYLBHOOSA-N
Molecular Weight 316.573 g/mol
SMILES C=12[C@]3([C@](C(C)(C)CCC3)([H])CCC1C[C@@](CC2)(CCCCC)C)C
SPLASH splash10-0a4j-8942000000-8ac13eb982c5b7b96f78
Source of Spectrum J-49-330-0
Synonyms (4aR,7R,10aR)-1,1,4a,7-tetramethyl-7-pentyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene
Wiley ID 1317419