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Methyl 1,3,5(10),6,8,11-hexahydro-15-acetoxy-14-oxa-4,4,8,10-tetramethyl-benzo[a]phenanthren-17-carboxylate
SpectraBase Compound ID LX5BPzu8AuU
InChI InChI=1S/C25H34O5/c1-15(26)29-18-13-17(22(27)28-6)12-16-14-20-24(4)10-7-9-23(2,3)19(24)8-11-25(20,5)30-21(16)18/h12-13,19-20H,7-11,14H2,1-6H3/t19-,20?,24?,25?/m0/s1
InChIKey NFEKZOYQRLNJGZ-JPMZOKIOSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl0TT109s62
Name Methyl 1,3,5(10),6,8,11-hexahydro-15-acetoxy-14-oxa-4,4,8,10-tetramethyl-benzo[a]phenanthren-17-carboxylate
Alternate Name(s) Methyl (4aS)-8-(acetyloxy)-4,4,6a,12b-tetramethyl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthene-10-carboxylate
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Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-15(26)29-18-13-17(22(27)28-6)12-16-14-20-24(4)10-7-9-23(2,3)19(24)8-11-25(20,5)30-21(16)18/h12-13,19-20H,7-11,14H2,1-6H3/t19-,20?,24?,25?/m0/s1
InChIKey NFEKZOYQRLNJGZ-JPMZOKIOSA-N
Molecular Weight 414.542 g/mol
SMILES C12(C3C(Oc4c(C3)cc(C(=O)OC)cc4OC(=O)C)(C)CC[C@]2(C(C)(C)CCC1)[H])C
SPLASH splash10-0006-0902100000-cfe5c14801cbb9e8d9c2
Source of Spectrum F-48-6678-20
Wiley ID 1375570