| SpectraBase Compound ID | I1fM4AwZOUg |
|---|---|
| InChI | InChI=1S/C29H45IO3/c1-7-19(16(2)3)26(30)27(33)17(4)21-8-9-22-20-15-25(32)24-14-18(31)10-12-29(24,6)23(20)11-13-28(21,22)5/h14,16-23,26,31H,7-13,15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,26?,28+,29+/m0/s1 |
| InChIKey | PNFLSCBPOIVHEL-AGVJFBHMSA-N |
| Mol Weight | 568.6 g/mol |
| Molecular Formula | C29H45IO3 |
| Exact Mass | 568.24134 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KB9dmiDTAzX |
|---|---|
| Name | 3.beta.-Hydroxy-22/23-iodostigmast-4-ene-6,23/22-dione |
| Alternate Name(s) | (3beta,23S)-3-hydroxy-23-iodostigmast-4-ene-6,22-dione |
| CAS Registry Number | 130798-14-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H45IO3 |
| InChI | InChI=1S/C29H45IO3/c1-7-19(16(2)3)26(30)27(33)17(4)21-8-9-22-20-15-25(32)24-14-18(31)10-12-29(24,6)23(20)11-13-28(21,22)5/h14,16-23,26,31H,7-13,15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,26?,28+,29+/m0/s1 |
| InChIKey | PNFLSCBPOIVHEL-AGVJFBHMSA-N |
| Molecular Weight | 568.580 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(C(=O)C[C@@]3([C@@]2(CC[C@@]2([C@]([C@@](C(C([C@](C(C)C)(CC)[H])I)=O)(C)[H])([H])CC[C@@]32[H])C)[H])[H])=C1)C)[H] |
| SPLASH | splash10-0006-0011900000-5585d9a295950f99ccf6 |
| Source of Spectrum | J-56-1937-6 |
| Wiley ID | 1407492 |