| SpectraBase Compound ID | 8eEqWO4xNGU |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | QIOWNWWZXNWWMP-YQPXSLGVSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CIKRidckot2 |
|---|---|
| Name | 3,16.ALPHA.,17.BETA.-TRIMETHOXY-1,3,5(10)-ESTRATRIENE |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 330.219494823 u |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19-,20+,21+/m1/s1 |
| InChIKey | QIOWNWWZXNWWMP-YQPXSLGVSA-N |
| Molecular Weight | 330.468 g/mol |
| Nominal Mass | 330 u |
| Number of Peaks | 116 |
| SMILES | c1(ccc2[C@]3(CC[C@@]4([C@]([C@@](C[C@]4([C@@]3(CCc2c1)[H])[H])(OC)[H])(OC)[H])C)[H])OC |
| SPLASH | splash10-00gl-7961000000-d823d98df0bc3eb51d6e |
| Source File Reference | LMCM-63813-519Z |
| Source of Spectrum | TU Eindhoven, NL |
| Synonyms | 3,16,17-TRIMETHOXYESTRA-1(10),2,4-TRIENE (1S,10R,11S,13R,14R,15S)-5,13,14-trimethoxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene (8R,9S,13S,14S,16R,17R)-3,16,17-trimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene |
| Wiley ID | 8_9257 |