Methyl 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-7-[3'-formylpropanoyl]-1-phenanthrenecarboxylate

SpectraBase Compound ID	JLryeURsWGt
InChI	InChI=1S/C23H34O4/c1-21(19(25)7-5-14-24)13-10-17-16(15-21)8-9-18-22(17,2)11-6-12-23(18,3)20(26)27-4/h14-15,17-18H,5-13H2,1-4H3
InChIKey	HOPUUUVQIJEUNH-UHFFFAOYSA-N Google Search
Mol Weight	374.5 g/mol
Molecular Formula	C23H34O4
Exact Mass	374.24571 g/mol

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SpectraBase Spectrum ID	9E1y7L3jxcF
Name	Methyl 1,2,3,4,4A,4B,5,6,7,9,10,10A-dodecahydro-1,4A,7-trimethyl-7-[3'-formylpropanoyl]-1-phenanthrenecarboxylate
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	374.245709571 u
Formula	C23H34O4
InChI	InChI=1S/C23H34O4/c1-21(19(25)7-5-14-24)13-10-17-16(15-21)8-9-18-22(17,2)11-6-12-23(18,3)20(26)27-4/h14-15,17-18H,5-13H2,1-4H3
InChIKey	HOPUUUVQIJEUNH-UHFFFAOYSA-N
Molecular Weight	374.521 g/mol
SMILES	C12(C(C(C(=O)OC)(C)CCC2)CCC=2C1CCC(C(=O)CCC=O)(C)C2)C
Spectrum/Structure Validation Score (Vapor Phase IR)	0.869696