![Pregn-5-en-3-ol, 20-[2-(1-methylethenyl)cyclopropyl]-, (3.beta.,20R)-](/api/spectrum/7fF99wRxHjC/structure.png?h=300&w=458 "Pregn-5-en-3-ol, 20-[2-(1-methylethenyl)cyclopropyl]-, (3.beta.,20R)-")
| SpectraBase Compound ID | BllIrpf6rbD |
|---|---|
| InChI | InChI=1S/C27H42O/c1-16(2)21-15-22(21)17(3)23-8-9-24-20-7-6-18-14-19(28)10-12-26(18,4)25(20)11-13-27(23,24)5/h6,17,19-25,28H,1,7-15H2,2-5H3/t17-,19+,20+,21?,22?,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | WKRJHIKOGBFGDA-YVUABUQSSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C27H42O |
| Exact Mass | 382.323566 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7fF99wRxHjC |
|---|---|
| Name | Pregn-5-en-3-ol, 20-[2-(1-methylethenyl)cyclopropyl]-, (3.beta.,20R)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.323565971 u |
| Formula | C27H42O |
| InChI | InChI=1S/C27H42O/c1-16(2)21-15-22(21)17(3)23-8-9-24-20-7-6-18-14-19(28)10-12-26(18,4)25(20)11-13-27(23,24)5/h6,17,19-25,28H,1,7-15H2,2-5H3/t17-,19+,20+,21?,22?,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | WKRJHIKOGBFGDA-YVUABUQSSA-N |
| Molecular Weight | 382.632 g/mol |
| SMILES | C1(C(C(=C)C)C1)[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873049 |