(3ar,4as,8ar,9ar)-3-[(Dodecylamino)methyl]decahydro-8A-methyl-5-methylidenenaphtho[2,3-B]furan-2(3H)-one

SpectraBase Compound ID	Bss5Duvxgp3
InChI	InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-17-28-20-23-22-18-24-21(2)15-14-16-27(24,3)19-25(22)30-26(23)29/h22-25,28H,2,4-20H2,1,3H3/t22-,23?,24+,25-,27-/m1/s1
InChIKey	CQEOJBNDKXTECA-MVRVLGECSA-N Google Search
Mol Weight	417.7 g/mol
Molecular Formula	C27H47NO2
Exact Mass	417.36068 g/mol

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SpectraBase Spectrum ID	5b59UQ7g8Tz
Name	(3ar,4as,8ar,9ar)-3-[(Dodecylamino)methyl]decahydro-8A-methyl-5-methylidenenaphtho[2,3-B]furan-2(3H)-one
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	417.360679755 u
Formula	C27H47NO2
InChI	InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-17-28-20-23-22-18-24-21(2)15-14-16-27(24,3)19-25(22)30-26(23)29/h22-25,28H,2,4-20H2,1,3H3/t22-,23?,24+,25-,27-/m1/s1
InChIKey	CQEOJBNDKXTECA-MVRVLGECSA-N
Molecular Weight	417.678 g/mol
SMILES	C=C1CCC[C@@]2(C[C@@]3([C@]([H])(C[C@@]12[H])C(CNCCCCCCCCCCCC)C(=O)O3)[H])C