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7-[ent-Halima-1(10),13E-dien-15-yl]-6-N-methoxy-9-methyladenosine
SpectraBase Compound ID J3BK7D6jF8h
InChI InChI=1S/C27H41N5O/c1-19(13-16-32-18-31(6)25-23(32)24(30-33-7)28-17-29-25)12-15-27(5)20(2)10-11-21-22(27)9-8-14-26(21,3)4/h9,13,17-18,20-21H,8,10-12,14-16H2,1-7H3/b19-13+/t20-,21+,27+/m1/s1
InChIKey MURVKNQAMQEJCU-XTBWPWFWSA-N
Mol Weight 451.7 g/mol
Molecular Formula C27H41N5O
Exact Mass 451.331111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKFrRvcszII
Name 7-[ent-Halima-1(10),13E-dien-15-yl]-6-N-methoxy-9-methyladenosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41N5O
InChI InChI=1S/C27H41N5O/c1-19(13-16-32-18-31(6)25-23(32)24(30-33-7)28-17-29-25)12-15-27(5)20(2)10-11-21-22(27)9-8-14-26(21,3)4/h9,13,17-18,20-21H,8,10-12,14-16H2,1-7H3/b19-13+/t20-,21+,27+/m1/s1
InChIKey MURVKNQAMQEJCU-XTBWPWFWSA-N
Molecular Weight 451.659 g/mol
SMILES c12[n+](c[n](c2N=C[N-]\C1=N\OC)C)C\C=C\(CC[C@@]1(C=2[C@](C(C)(C)CCC2)([H])CC[C@]1(C)[H])C)C
SPLASH splash10-052b-0942000000-3aa870f9d01e1ec99653
Source of Spectrum KC-61-11677-18
Wiley ID 1631509