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Methyl (1S,4ar,5S,8ar)-5-(2-{2-[2-(1Z)-1-amino-3-ethoxy-3-oxoprop-1-en-1-yl]-3-furyl}ethyl)-1,4adimethyl-6-methylenedecahydronaphthalene-1-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (1S,4ar,5S,8ar)-5-(2-{2-[2-(1Z)-1-amino-3-ethoxy-3-oxoprop-1-en-1-yl]-3-furyl}ethyl)-1,4adimethyl-6-methylenedecahydronaphthalene-1-carboxylate
SpectraBase Compound ID Cal4XIMFmku
InChI InChI=1S/C26H37NO5/c1-6-31-22(28)16-20(27)23-18(12-15-32-23)9-10-19-17(2)8-11-21-25(19,3)13-7-14-26(21,4)24(29)30-5/h12,15-16,19,21H,2,6-11,13-14,27H2,1,3-5H3/b20-16-/t19-,21+,25+,26-/m0/s1
InChIKey KGCZOGQNPICQTB-XJWQAQJHSA-N
Mol Weight 443.6 g/mol
Molecular Formula C26H37NO5
Exact Mass 443.267173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fAVNq277m0
Name Methyl (1S,4ar,5S,8ar)-5-(2-{2-[2-(1Z)-1-amino-3-ethoxy-3-oxoprop-1-en-1-yl]-3-furyl}ethyl)-1,4adimethyl-6-methylenedecahydronaphthalene-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.267173290 u
Formula C26H37NO5
InChI InChI=1S/C26H37NO5/c1-6-31-22(28)16-20(27)23-18(12-15-32-23)9-10-19-17(2)8-11-21-25(19,3)13-7-14-26(21,4)24(29)30-5/h12,15-16,19,21H,2,6-11,13-14,27H2,1,3-5H3/b20-16-/t19-,21+,25+,26-/m0/s1
InChIKey KGCZOGQNPICQTB-XJWQAQJHSA-N
Molecular Weight 443.584 g/mol
SMILES [C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CCC1=C(\C(=C\C(=O)OCC)N)OC=C1)[H])=C)[H])C