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1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methanasulfonate, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methanasulfonate, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
SpectraBase Compound ID 4NcOmmBvwNC
InChI InChI=1S/C21H34O3S/c1-15(2)16-7-9-18-17(13-16)8-10-19-20(3,14-24-25(5,22)23)11-6-12-21(18,19)4/h8,13,15,18-19H,6-7,9-12,14H2,1-5H3/t18-,19-,20-,21+/m0/s1
InChIKey HNMZWUVTTBIDMW-XSDIEEQYSA-N
Mol Weight 366.6 g/mol
Molecular Formula C21H34O3S
Exact Mass 366.222866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XmLBihp5gT
Name 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, methanasulfonate, [1R-(1.alpha.,4a.beta.,4b.alpha.,10a.alpha.)]-
Alternate Name(s) (4beta)-abieta-7,13-dien-18-yl methanesulfonate Abieta-7,13-dien-18-yl methanesulfonate
CAS Registry Number 129415-06-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3S
InChI InChI=1S/C21H34O3S/c1-15(2)16-7-9-18-17(13-16)8-10-19-20(3,14-24-25(5,22)23)11-6-12-21(18,19)4/h8,13,15,18-19H,6-7,9-12,14H2,1-5H3/t18-,19-,20-,21+/m0/s1
InChIKey HNMZWUVTTBIDMW-XSDIEEQYSA-N
Molecular Weight 366.560 g/mol
SMILES C(OS(=O)(=O)C)[C@]1([C@]2([C@]([C@]3(CCC(=CC3=CC2)C(C)C)[H])(C)CCC1)[H])C
SPLASH splash10-0udi-0092000000-4c305d36145bdb93fe1a
Source of Spectrum B-43-877-20
Wiley ID 1352060