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3-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-6-[(4-methylpiperazin-1-yl)methyl]furo[2,3-d]pyrimidin-2(3H)-one

View entire compound with spectra: 1 MS (GC)

3-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-6-[(4-methylpiperazin-1-yl)methyl]furo[2,3-d]pyrimidin-2(3H)-one
SpectraBase Compound ID A7Lj0mGm64K
InChI InChI=1S/C27H36N4O4/c1-17-5-4-6-27(2)13-23-20(12-22(17)27)21(25(32)35-23)16-31-14-18-11-19(34-24(18)28-26(31)33)15-30-9-7-29(3)8-10-30/h11,14,20-23H,1,4-10,12-13,15-16H2,2-3H3/t20-,21+,22+,23-,27-/m1/s1
InChIKey YPTAUMDHLJHLQB-DHADCPQOSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H36N4O4
Exact Mass 480.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vFuYaiZB8S
Name 3-{[(3R,3aR,4aS,8aR,9aR)-8a-Methyl-5-methylidene-2-oxododecahydronaphtho[2,3-b]furan-3-yl]-methyl}-6-[(4-methylpiperazin-1-yl)methyl]furo[2,3-d]pyrimidin-2(3H)-one
Alternate Name(s) 3-(((3R,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-2-oxododecahydronaphtho[2,3-b]furan-3-yl)methyl)-6-((4-methylpiperazin-1-yl)methyl)furo[2,3-d]pyrimidin-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N4O4
InChI InChI=1S/C27H36N4O4/c1-17-5-4-6-27(2)13-23-20(12-22(17)27)21(25(32)35-23)16-31-14-18-11-19(34-24(18)28-26(31)33)15-30-9-7-29(3)8-10-30/h11,14,20-23H,1,4-10,12-13,15-16H2,2-3H3/t20-,21+,22+,23-,27-/m1/s1
InChIKey YPTAUMDHLJHLQB-DHADCPQOSA-N
Molecular Weight 480.609 g/mol
SMILES C12=NC(N(C=C2C=C(O1)CN1CCN(CC1)C)C[C@@]1(C(O[C@]2([C@@]1(C[C@@]1([C@@](CCCC1=C)(C)C2)[H])[H])[H])=O)[H])=O
SPLASH splash10-0005-5970100000-a0266d85379dd6534cbb
Source of Spectrum HC-50-1077-29
Wiley ID 1739903