![(3R,5R)-10,13-Dimethyl-17-(1-methyl-4-methylsulfanyl-butyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol](/api/spectrum/CSY4ed9I6eR/structure.png?h=300&w=458 "(3R,5R)-10,13-Dimethyl-17-(1-methyl-4-methylsulfanyl-butyl)-hexadecahydro-cyclopenta[a]phenanthren-3-ol")
| SpectraBase Compound ID | 94CxdWfODwF |
|---|---|
| InChI | InChI=1S/C25H44OS/c1-17(6-5-15-27-4)21-9-10-22-20-8-7-18-16-19(26)11-13-24(18,2)23(20)12-14-25(21,22)3/h17-23,26H,5-16H2,1-4H3/t17?,18-,19-,20?,21?,22?,23?,24?,25?/m1/s1 |
| InChIKey | AEPRZIHZXHWUCN-PCINZECTSA-N |
| Mol Weight | 392.7 g/mol |
| Molecular Formula | C25H44OS |
| Exact Mass | 392.311287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSY4ed9I6eR |
|---|---|
| Name | (3R,5R)-10,13-Dimethyl-17-(1-methyl-4-methylsulfanyl-butyl)-hexadecahydro-cyclopenta[A]phenanthren-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.311287210 u |
| Formula | C25H44OS |
| InChI | InChI=1S/C25H44OS/c1-17(6-5-15-27-4)21-9-10-22-20-8-7-18-16-19(26)11-13-24(18,2)23(20)12-14-25(21,22)3/h17-23,26H,5-16H2,1-4H3/t17?,18-,19-,20?,21?,22?,23?,24?,25?/m1/s1 |
| InChIKey | AEPRZIHZXHWUCN-PCINZECTSA-N |
| Molecular Weight | 392.686 g/mol |
| SMILES | C12(C(C3CC[C@]4(C(C3CC2)(CC[C@](C4)(O)[H])C)[H])CCC1C(CCCSC)C)C |