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2(3H)-Phenanthrenone, 8-(1,1-dimethylethoxy)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-8a-methyl-1- (3-oxobutyl)-, [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

2(3H)-Phenanthrenone, 8-(1,1-dimethylethoxy)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-8a-methyl-1- (3-oxobutyl)-, [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.)]-
SpectraBase Compound ID 4xgP4ywhHXL
InChI InChI=1S/C23H36O3/c1-15(24)9-10-18-16-13-14-23(5)19(17(16)11-12-20(18)25)7-6-8-21(23)26-22(2,3)4/h17,19,21H,6-14H2,1-5H3/t17-,19+,21+,23+/m0/s1
InChIKey XUEVGBMLTDWLFL-ICGULJKJSA-N
Mol Weight 360.5 g/mol
Molecular Formula C23H36O3
Exact Mass 360.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHjShZ5yYoz
Name 2(3H)-Phenanthrenone, 8-(1,1-dimethylethoxy)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-8a-methyl-1- (3-oxobutyl)-, [4aS-(4a.alpha.,4b.beta.,8.alpha.,8a.alpha.)]-
Alternate Name(s) (4aR,4bR,8R,8aR)-8-tert-butoxy-8a-methyl-1-(3-oxobutyl)-4,4a,4b,5,6,7,8,8a,9,10-decahydro-2(3H)-phenanthrenone 17a.beta.-(t-Butoxy)-D-homo-4,5-seco-9-estren-3,5-dione
CAS Registry Number 69269-06-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O3
InChI InChI=1S/C23H36O3/c1-15(24)9-10-18-16-13-14-23(5)19(17(16)11-12-20(18)25)7-6-8-21(23)26-22(2,3)4/h17,19,21H,6-14H2,1-5H3/t17-,19+,21+,23+/m0/s1
InChIKey XUEVGBMLTDWLFL-ICGULJKJSA-N
Molecular Weight 360.538 g/mol
SMILES C12=C(C(=O)CC[C@@]2([C@]2(CCC[C@]([C@@]2(CC1)C)(OC(C)(C)C)[H])[H])[H])CCC(=O)C
SPLASH splash10-0bu3-9325000000-711fb92bda209ff4a79f
Source of Spectrum H-61-2405-0
Wiley ID 1348654