| SpectraBase Compound ID | EbnOTH7oPCA |
|---|---|
| InChI | InChI=1S/C18H18O4/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/h3-4,9,13H,5-8H2,1-2H3/t13-,18+/m1/s1 |
| InChIKey | CJNQEDMDMLUCTO-ACJLOTCBSA-N |
| Mol Weight | 298.34 g/mol |
| Molecular Formula | C18H18O4 |
| Exact Mass | 298.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4b997dwVjIv |
|---|---|
| Name | 6-Oxaestra-1,3,5(10),8-tetraene-7,17-dione, 3-methoxy- |
| Alternate Name(s) | (3aS,11aS)-7-methoxy-11a-methyl-2,3,3a,10,11,11a-hexahydroindeno[4,5-c]chromene-1,4-dione 14.beta.-3-methoxy-6-oxaestra-1,3,5(10),8-tetraen-7,17-dione 3-Methoxy-6-oxaestra-1,3,5(10),8-tetraen-7,17-dione 3-Methoxy-6-oxaoestra-1,3,5(10),8(9)-tetraene-7,17-dione Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),8-tetraene-7,17-dione deriv. |
| CAS Registry Number | 75676-23-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H18O4 |
| InChI | InChI=1S/C18H18O4/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/h3-4,9,13H,5-8H2,1-2H3/t13-,18+/m1/s1 |
| InChIKey | CJNQEDMDMLUCTO-ACJLOTCBSA-N |
| Molecular Weight | 298.338 g/mol |
| SMILES | C12=C(c3ccc(cc3OC2=O)OC)CC[C@]2([C@@]1(CCC2=O)[H])C |
| SPLASH | splash10-052e-0090000000-84d3b652d6f0f550f184 |
| Source of Spectrum | B-35-807-0 |
| Wiley ID | 1301076 |