13S,16S-19,25-Epoxy-17(25),18-diene-16-acetoxyhyrtiosan-12-al

SpectraBase Compound ID	1DvjpJXl7kc
InChI	InChI=1S/C27H40O4/c1-18(29)31-20(19-9-13-30-16-19)14-22-25(4,17-28)15-23-26(5)11-7-10-24(2,3)21(26)8-12-27(22,23)6/h9,13,16-17,20-23H,7-8,10-12,14-15H2,1-6H3/t20-,21-,22+,23+,25+,26-,27-/m0/s1
InChIKey	ICLMNNHOIMGCQA-OSUFMNBKSA-N Google Search
Mol Weight	428.6 g/mol
Molecular Formula	C27H40O4
Exact Mass	428.29266 g/mol

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SpectraBase Spectrum ID	77S60EJrpcJ
Name	13S,16S-19,25-Epoxy-17(25),18-diene-16-acetoxyhyrtiosan-12-al
Alternate Name(s)	13S,16R-19,15-epoxy-17(25),18-diene-16-acetoxyhyrtiosan-12-al 13S,16R-19,25-Epoxy-17(25),18-dien-16-acetoxyhyrtiosan-12-al 13S,16S-19,25-Epoxy-17(25),18-dien-16-acetoxyhyrtiosan-12-al Acetic acid [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-formyl-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(3-furanyl)ethyl] ester [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-formyl-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(furan-3-yl)ethyl] acetate [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-formyl-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(3-furyl)ethyl] acetate [(1S)-2-[(2S,3S,3aR,5aS,9aS,9bR)-2-methanoyl-2,3a,6,6,9a-pentamethyl-3,4,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-1-(furan-3-yl)ethyl] ethanoate
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Formula	C27H40O4
InChI	InChI=1S/C27H40O4/c1-18(29)31-20(19-9-13-30-16-19)14-22-25(4,17-28)15-23-26(5)11-7-10-24(2,3)21(26)8-12-27(22,23)6/h9,13,16-17,20-23H,7-8,10-12,14-15H2,1-6H3/t20-,21-,22+,23+,25+,26-,27-/m0/s1
InChIKey	ICLMNNHOIMGCQA-OSUFMNBKSA-N
Molecular Weight	428.613 g/mol
SMILES	[C@]12([C@@]([C@]3(CCCC([C@@]3(CC2)[H])(C)C)C)(C[C@@]([C@]1(C[C@@](c1cocc1)(OC(=O)C)[H])[H])(C=O)C)[H])C
SPLASH	splash10-014j-6693100000-384f030f324367867256
Source of Spectrum	C5-2002-1528-14
Wiley ID	1614776