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1-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-5-[3-(pyrrolidin-1-yl)prop-1-ynyl]pyrimidine-2,4(1H,3H)-dione

View entire compound with spectra: 1 MS (GC)

1-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-5-[3-(pyrrolidin-1-yl)prop-1-ynyl]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID ET6AoMr0OHp
InChI InChI=1S/C26H33N3O4/c1-17-7-5-9-26(2)14-22-19(13-21(17)26)20(24(31)33-22)16-29-15-18(23(30)27-25(29)32)8-6-12-28-10-3-4-11-28/h15,19-22H,1,3-5,7,9-14,16H2,2H3,(H,27,30,32)/t19-,20+,21+,22-,26-/m1/s1
InChIKey LACDDOBTEJIYSJ-ABRUXBDKSA-N
Mol Weight 451.6 g/mol
Molecular Formula C26H33N3O4
Exact Mass 451.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lqx9xPcY8m
Name 1-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-5-[3-(pyrrolidin-1-yl)prop-1-ynyl]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N3O4
InChI InChI=1S/C26H33N3O4/c1-17-7-5-9-26(2)14-22-19(13-21(17)26)20(24(31)33-22)16-29-15-18(23(30)27-25(29)32)8-6-12-28-10-3-4-11-28/h15,19-22H,1,3-5,7,9-14,16H2,2H3,(H,27,30,32)/t19-,20+,21+,22-,26-/m1/s1
InChIKey LACDDOBTEJIYSJ-ABRUXBDKSA-N
Molecular Weight 451.567 g/mol
SMILES N1C(C(=CN(C1=O)C[C@@]1(C(O[C@]2([C@@]1(C[C@@]1([C@@](CCCC1=C)(C)C2)[H])[H])[H])=O)[H])C#CCN1CCCC1)=O
SPLASH splash10-006x-5910100000-42719c4e000b91229e4d
Source of Spectrum HC-50-1075-24
Synonyms 1-(((3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)-5-(3-(pyrrolidin-1-yl)prop-1-yn-1-yl)pyrimidine-2,4(1H,3H)-dione
Wiley ID 1739905