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1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-6,6a,7,8,9,10- hexahydro-7,8-dimethyl-, [6aR-[6a.alpha.,7.alpha.(R*),8.beta.,10aR*]]-
SpectraBase Compound ID LLb4zjWc9B7
InChI InChI=1S/C22H28O6/c1-13-7-10-22-12-26-19(25)16(22)5-4-6-17(22)21(13,3)9-8-15-11-18(24)28-20(15)27-14(2)23/h5,11,13,17,20H,4,6-10,12H2,1-3H3
InChIKey KYLITSGGADNWDN-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 4N9gYzMMccj
Name 1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(acetyloxy)-2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-6,6a,7,8,9,10- hexahydro-7,8-dimethyl-, [6aR-[6a.alpha.,7.alpha.(R*),8.beta.,10aR*]]-
CAS Registry Number 67392-51-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O6
InChI InChI=1S/C22H28O6/c1-13-7-10-22-12-26-19(25)16(22)5-4-6-17(22)21(13,3)9-8-15-11-18(24)28-20(15)27-14(2)23/h5,11,13,17,20H,4,6-10,12H2,1-3H3
InChIKey KYLITSGGADNWDN-UHFFFAOYSA-N
Molecular Weight 388.460 g/mol
SMILES C123C(C(=O)OC3)=CCCC1C(CCC=1C(OC(C1)=O)OC(=O)C)(C)C(CC2)C
SPLASH splash10-014r-4397000000-9a50ab94c5dc006603a9
Source of Spectrum K-111-2138-0
Synonyms 3-[2-(7,8-dimethyl-3-oxo-3,5,6,6a,7,8,9,10-octahydronaphtho[1,8a-c]furan-7-yl)ethyl]-5-oxo-2,5-dihydro-2-furanyl acetate Marrubiastrol acetate
Wiley ID 1363849