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(4ba,8ab)-11-acetoxy-3-acetyl-2,5,5,8a-tetramethyl-12-methylethyl-4b,5,6,7,8,8a-hexahydro-4H-phenanthro[9,10-b]pyran-4-one
SpectraBase Compound ID 50Z5Jk7KV60
InChI InChI=1S/C28H34O5/c1-14(2)20-19(33-17(5)30)11-10-18-22(20)25-23(24(31)21(15(3)29)16(4)32-25)26-27(6,7)12-9-13-28(18,26)8/h10-11,14,26H,9,12-13H2,1-8H3/t26?,28-/m1/s1
InChIKey IGWCEXBROBJTLE-SVNIRARHSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O5
Exact Mass 450.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18zUXpB4c4
Name (4ba,8ab)-11-acetoxy-3-acetyl-2,5,5,8a-tetramethyl-12-methylethyl-4b,5,6,7,8,8a-hexahydro-4H-phenanthro[9,10-b]pyran-4-one
Alternate Name(s) (4bR,8aR)-3-acetyl-12-isopropyl-2,5,5,8a-tetramethyl-4-oxo-4b,5,6,7,8,8a-hexahydro-4H-dibenzo[f,h]chromen-11-yl acetate Acetic acid (S)-3-acetyl-12-isopropyl-2,5,5,8a-tetramethyl-4-oxo-4b,5,6,7,8,8a-hexahydro-4H-1-oxa-triphenylen-11-yl ester
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Formula C28H34O5
InChI InChI=1S/C28H34O5/c1-14(2)20-19(33-17(5)30)11-10-18-22(20)25-23(24(31)21(15(3)29)16(4)32-25)26-27(6,7)12-9-13-28(18,26)8/h10-11,14,26H,9,12-13H2,1-8H3/t26?,28-/m1/s1
InChIKey IGWCEXBROBJTLE-SVNIRARHSA-N
Molecular Weight 450.575 g/mol
SMILES C12=C(c3c(c(OC(=O)C)ccc3[C@@]3(C2C(CCC3)(C)C)C)C(C)C)OC(=C(C1=O)C(=O)C)C
SPLASH splash10-0gbc-6007900000-c3e2b46ac5080fd16aad
Source of Spectrum JA-50-933-0
Wiley ID 1387827