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6-[(Diethylamino)methyl]-3-{[(3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylidene-2-oxododecahydro-naphtho[2,3-b]furan-3-yl]methyl}furo[2,3-d]pyrimidin-2(3H)-one
SpectraBase Compound ID 1Y01pY4GWNb
InChI InChI=1S/C26H35N3O4/c1-5-28(6-2)14-18-10-17-13-29(25(31)27-23(17)32-18)15-20-19-11-21-16(3)8-7-9-26(21,4)12-22(19)33-24(20)30/h10,13,19-22H,3,5-9,11-12,14-15H2,1-2,4H3/t19-,20+,21+,22-,26-/m1/s1
InChIKey IIRMIWSUCAIDEW-ABRUXBDKSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H35N3O4
Exact Mass 453.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNFwGHNBlWf
Name 6-[(Diethylamino)methyl]-3-{[(3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylidene-2-oxododecahydro-naphtho[2,3-b]furan-3-yl]methyl}furo[2,3-d]pyrimidin-2(3H)-one
Alternate Name(s) 6-((diethylamino)methyl)-3-(((3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)furo[2,3-d]pyrimidin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O4
InChI InChI=1S/C26H35N3O4/c1-5-28(6-2)14-18-10-17-13-29(25(31)27-23(17)32-18)15-20-19-11-21-16(3)8-7-9-26(21,4)12-22(19)33-24(20)30/h10,13,19-22H,3,5-9,11-12,14-15H2,1-2,4H3/t19-,20+,21+,22-,26-/m1/s1
InChIKey IIRMIWSUCAIDEW-ABRUXBDKSA-N
Molecular Weight 453.583 g/mol
SMILES C12=NC(N(C=C2C=C(O1)CN(CC)CC)C[C@@]1(C(O[C@]2([C@@]1(C[C@@]1([C@@](CCCC1=C)(C)C2)[H])[H])[H])=O)[H])=O
SPLASH splash10-001i-7906000000-24f2f8967b00e2561769
Source of Spectrum HC-50-1077-19
Wiley ID 1739904