![(17-formyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate](/api/spectrum/1aj2yotb9js/structure.png?h=300&w=458 "(17-formyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate")
| SpectraBase Compound ID | 6HxBE3HaOoN |
|---|---|
| InChI | InChI=1S/C21H32O5/c1-20-8-7-14(25-11-22)9-13(20)3-4-15-16-5-6-18(26-12-23)21(16,2)10-17(24)19(15)20/h11-19,24H,3-10H2,1-2H3 |
| InChIKey | AFNIGLXMDBVSOL-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C21H32O5 |
| Exact Mass | 364.224974 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1aj2yotb9js |
|---|---|
| Name | (17-formyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate |
| CAS Registry Number | 72654-91-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O5 |
| InChI | InChI=1S/C21H32O5/c1-20-8-7-14(25-11-22)9-13(20)3-4-15-16-5-6-18(26-12-23)21(16,2)10-17(24)19(15)20/h11-19,24H,3-10H2,1-2H3 |
| InChIKey | AFNIGLXMDBVSOL-UHFFFAOYSA-N |
| Molecular Weight | 364.482 g/mol |
| SMILES | OC1C2C3(CCC(CC3CCC2C2C(C(CC2)OC=O)(C1)C)OC=O)C |
| SPLASH | splash10-0pb9-9074000000-fcf9edfd26555ddfcf03 |
| Source of Spectrum | W5-0-0-0 |
| Synonyms | Androstane-3,11,17-triol, 3,17-diformate, (3.alpha.,5.alpha.,11.beta.,17.beta.)- (17-methanoyloxy-10,13-dimethyl-11-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) methanoate formic acid (17-formyloxy-11-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester |
| Wiley ID | 1350894 |