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MAMMEA_B/BA_CYCLO_F
SpectraBase Compound ID Ldo5jO00SRW
InChI InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKey TVYLJAPSHFFCMT-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1F4xNGlqNe
Name 7H-Furo[2,3-f][1]benzopyran-7-one, 2,3-dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-, (.+-.)-
CAS Registry Number 111761-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-6-7-12-9-16(24)28-21-17(12)20-13(10-15(27-20)22(4,5)26)19(25)18(21)14(23)8-11(2)3/h9,11,15,25-26H,6-8,10H2,1-5H3
InChIKey TVYLJAPSHFFCMT-UHFFFAOYSA-N
Molecular Weight 388.460 g/mol
SMILES Oc1c2CC(C(O)(C)C)Oc2c2c(c1C(CC(C)C)=O)OC(C=C2CCC)=O
SPLASH splash10-001r-0019000000-5997eac368c6e9a05db7
Source of Spectrum KC-1987-330-6
Synonyms (.+-.)-Mammea B/BA cyclo F 2,8-Dioxa-5-propyl-9-(1-hydroxy-methyl-ethyl)-12-hydroxy-13-(3-methylpropylcarbonyl)-tricyclo[4.7.0.0(7,11)]trideca-4,1(6),7(11),12-tetraen-3-one 4-Hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methylbutanoyl)-9-propyl-2,3-dihydro-7H-furo[2,3-f]chromen-7-one
Wiley ID 1363873