| SpectraBase Compound ID | LrUeicRyPI7 |
|---|---|
| InChI | InChI=1S/C23H36O3S2/c1-22-9-7-16(24)13-15(22)5-6-17-18(22)8-10-23(2,21(25)26-3)19(17)14-20-27-11-4-12-28-20/h5,16-20,24H,4,6-14H2,1-3H3 |
| InChIKey | LKTNCDPURVCXCC-UHFFFAOYSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C23H36O3S2 |
| Exact Mass | 424.210587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 50MXKO1KPvJ |
|---|---|
| Name | 1-(1,3-dithian-2-ylmethyl)-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthrene-2-carboxylic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H36O3S2 |
| InChI | InChI=1S/C23H36O3S2/c1-22-9-7-16(24)13-15(22)5-6-17-18(22)8-10-23(2,21(25)26-3)19(17)14-20-27-11-4-12-28-20/h5,16-20,24H,4,6-14H2,1-3H3 |
| InChIKey | LKTNCDPURVCXCC-UHFFFAOYSA-N |
| Molecular Weight | 424.658 g/mol |
| SMILES | OC1CC=2C(CC1)(C)C1C(CC2)C(C(CC1)(C)C(OC)=O)CC1SCCCS1 |
| SPLASH | splash10-014i-6975000000-adba43809d19edfc03ff |
| Synonyms | 2-Phenanthrenecarboxylic acid, 1-(1,3-dithian-2-ylmethyl)-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-, methyl ester Methyl 1-(1,3-dithian-2-ylmethyl)-2,4b-dimethyl-7-oxidanyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthrene-2-carboxylate Methyl 1-(1,3-dithian-2-ylmethyl)-7-hydroxy-2,4b-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-2-phenanthrenecarboxylate Methyl 1-(1,3-dithian-2-ylmethyl)-7-hydroxy-2,4b-dimethyl-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthrene-2-carboxylate |
| Wiley ID | 1477213 |