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(6aSR,9R,12S,15aRS)-7,8,9,10,11,12,14,15,15a,16-Decahydro-6aH,13H,17Hbicyclo[7.2.0]undecano[5',4';5,6]pyrano[2,3-b][1]benzopyran-17-one

View entire compound with spectra: 1 MS (GC)

(6aSR,9R,12S,15aRS)-7,8,9,10,11,12,14,15,15a,16-Decahydro-6aH,13H,17Hbicyclo[7.2.0]undecano[5',4';5,6]pyrano[2,3-b][1]benzopyran-17-one
SpectraBase Compound ID HP5o3d6RABC
InChI InChI=1S/C25H30O3/c1-15-9-10-16-13-18-22(26)17-7-5-6-8-21(17)27-23(18)28-25(16,4)12-11-20-19(15)14-24(20,2)3/h5-8,16,19-20H,1,9-14H2,2-4H3/t16-,19-,20?,25-/m1/s1
InChIKey SSLGCRKZJTUYID-QOMJEECSSA-N
Mol Weight 378.51 g/mol
Molecular Formula C25H30O3
Exact Mass 378.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iPsyAgeMcd
Name (6aSR,9R,12S,15aRS)-7,8,9,10,11,12,14,15,15a,16-Decahydro-6aH,13H,17Hbicyclo[7.2.0]undecano[5',4';5,6]pyrano[2,3-b][1]benzopyran-17-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O3
InChI InChI=1S/C25H30O3/c1-15-9-10-16-13-18-22(26)17-7-5-6-8-21(17)27-23(18)28-25(16,4)12-11-20-19(15)14-24(20,2)3/h5-8,16,19-20H,1,9-14H2,2-4H3/t16-,19-,20?,25-/m1/s1
InChIKey SSLGCRKZJTUYID-QOMJEECSSA-N
Molecular Weight 378.512 g/mol
SMILES C12=C(O[C@]3([C@@](C2)(CCC([C@]2(CC(C2CC3)(C)C)[H])=C)[H])C)Oc2c(C1=O)cccc2
SPLASH splash10-001i-0902000000-1546eabf4035d0063c0f
Source of Spectrum J-59-5563-26
Synonyms (15aS)-2,2,4a-trimethyl-15-methylene-1,2,2a,3,4,4a,12,12a,13,14,15,15a-dodecahydro-11H-cyclobuta[5',6']cyclonona[1',2':5,6]pyrano[2,3-b]chromen-11-one (6aSR,9R,12S,15aRS)-7,8,9,10,11,12,14,15,15a,16-decahydro-6ah,13H,17hbicyclo[7.2.0]undecano[5',4' 5,6]pyrano[2,3-b][1]benzopyran-17-one
Wiley ID 1359060