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6-Oxaestra-1,3,5(10),8,15-pentaene-7,17-dione, 3-methoxy-, (14.beta.)-
SpectraBase Compound ID Igh3BnKAYpo
InChI InChI=1S/C18H16O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-6,9,13H,7-8H2,1-2H3/t13-,18+/m1/s1
InChIKey APDFEZUTEAKMNY-ACJLOTCBSA-N
Mol Weight 296.32 g/mol
Molecular Formula C18H16O4
Exact Mass 296.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BImLiYyYF9O
Name 6-Oxaestra-1,3,5(10),8,15-pentaene-7,17-dione, 3-methoxy-, (14.beta.)-
Alternate Name(s) (3aS,11aS)-7-methoxy-11a-methyl-3a,10,11,11a-tetrahydroindeno[4,5-c]chromene-1,4-dione 14.beta.-3-methoxy-6-oxaestra-1,3,5(10),8,15-pentaen-7,17-dione Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),8,15-pentaene-7,17-dione deriv.
CAS Registry Number 75671-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O4
InChI InChI=1S/C18H16O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-6,9,13H,7-8H2,1-2H3/t13-,18+/m1/s1
InChIKey APDFEZUTEAKMNY-ACJLOTCBSA-N
Molecular Weight 296.322 g/mol
SMILES C12=C(c3ccc(cc3OC2=O)OC)CC[C@]2([C@@]1(C=CC2=O)[H])C
SPLASH splash10-00kb-0090000000-c1acbe942da2191adc87
Source of Spectrum I-58-1430-0
Wiley ID 1299267