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isomorellinol
SpectraBase Compound ID Ispxo29Tn0P
InChI InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10+/t19-,23+,32+,33-/m0/s1
InChIKey UWZMGTSPGQXAAP-VDGDCHMBSA-N
Mol Weight 546.7 g/mol
Molecular Formula C33H38O7
Exact Mass 546.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B5qqUY2Xzf
Name 1,5-Methano-1H,7H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-7,15-dione, 3,3a,4,5-tetrahydro-8-hydroxy-1-(4-hydroxy-3-methyl-2-butenyl)-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-, [1R-[1.alpha.,1(Z),3a.beta.,5.alpha.,14aS*]]-
CAS Registry Number 55452-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H38O7
InChI InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,19,23,34-35H,9,13,15-16H2,1-7H3/b18-10+/t19-,23+,32+,33-/m0/s1
InChIKey UWZMGTSPGQXAAP-VDGDCHMBSA-N
Molecular Weight 546.660 g/mol
SMILES Oc1c2c(O[C@]34[C@@]5(C[C@@](C([C@@]4(C\C=C\(CO)C)OC5(C)C)=O)(C=C3C2=O)[H])[H])c(c2OC(C=Cc12)(C)C)CC=C(C)C
SPLASH splash10-00kf-9541240000-8520fc46c9a1f3651cb9
Source of Spectrum W5-37324-28212-28212
Synonyms Morellinol
Wiley ID 1405284