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2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-N-pentylpropanamide
SpectraBase Compound ID 69nzP96P1lS
InChI InChI=1S/C25H37NO3/c1-7-8-9-12-26-23(28)24(3,4)17-14-20(27)22-18-13-16(2)10-11-19(18)25(5,6)29-21(22)15-17/h10,14-15,18-19,27H,7-9,11-13H2,1-6H3,(H,26,28)/t18-,19-/m1/s1
InChIKey ZJYOWSQATLFEBV-RTBURBONSA-N
Mol Weight 399.6 g/mol
Molecular Formula C25H37NO3
Exact Mass 399.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3avWdlQJ3d0
Name 2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-N-pentylpropanamide
Appearance Light-yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO3
InChI InChI=1S/C25H37NO3/c1-7-8-9-12-26-23(28)24(3,4)17-14-20(27)22-18-13-16(2)10-11-19(18)25(5,6)29-21(22)15-17/h10,14-15,18-19,27H,7-9,11-13H2,1-6H3,(H,26,28)/t18-,19-/m1/s1
InChIKey ZJYOWSQATLFEBV-RTBURBONSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm501165d
Molecular Weight 399.575 g/mol
SMILES N(C(C(c1cc(c2[C@@]3(CC(=CC[C@]3(C(Oc2c1)(C)C)[H])C)[H])O)(C)C)=O)CCCCC
SPLASH splash10-052r-1191000000-758f9de9d924581dd07f
Source of Spectrum AF-58-677-18
Wiley ID 1865525