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[(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbutanoate

View entire compound with spectra: 1 MS (GC)

[(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbutanoate
SpectraBase Compound ID 2TlkytZTGNU
InChI InChI=1S/C25H34O4/c1-15(2)12-20(26)29-14-24(5)10-7-11-25(6)19(24)9-8-17-13-18(16(3)4)22(27)23(28)21(17)25/h8-9,13,15-16,28H,7,10-12,14H2,1-6H3/t24-,25+/m1/s1
InChIKey WQAYBUODDHWCMN-RPBOFIJWSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 87I2dvDgIZE
Name [(1S,4aS)-1,4a-dimethyl-5-oxidanyl-6-oxidanylidene-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbutanoate
Alternate Name(s) [(1S,4aS)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbutanoate [(1S,4aS)-5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbutanoate 3-Methylbutanoic acid [(1S,4aS)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl ester
CAS Registry Number 84744-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-15(2)12-20(26)29-14-24(5)10-7-11-25(6)19(24)9-8-17-13-18(16(3)4)22(27)23(28)21(17)25/h8-9,13,15-16,28H,7,10-12,14H2,1-6H3/t24-,25+/m1/s1
InChIKey WQAYBUODDHWCMN-RPBOFIJWSA-N
Molecular Weight 398.543 g/mol
SMILES OC1=C2[C@@]3(C([C@](COC(=O)CC(C)C)(C)CCC3)=CC=C2C=C(C(C)C)C1=O)C
SPLASH splash10-0560-9040000000-b8e22c74c737cb84f72c
Source of Spectrum H-65-2194-0
Wiley ID 1368597