| SpectraBase Compound ID | AB3iVwDUhoN |
|---|---|
| InChI | InChI=1S/C27H45IO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,29-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | GYBPIJLVVUPVBR-MZVWGMDXSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C27H45IO2 |
| Exact Mass | 528.246426 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JOrkuQPEPFV |
|---|---|
| Name | Cholest-5-ene-3,16-diol, 26-iodo-, (3.beta.,16.beta.,25R)- |
| CAS Registry Number | 71472-99-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H45IO2 |
| InChI | InChI=1S/C27H45IO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-25,29-30H,5-7,9-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | GYBPIJLVVUPVBR-MZVWGMDXSA-N |
| Molecular Weight | 528.559 g/mol |
| SMILES | O[C@]1(CC[C@]2(C(=CC[C@]3([C@]4([C@@]([C@]([C@](C4)(O)[H])([C@@](CCC[C@](CI)(C)[H])(C)[H])[H])(CC[C@]23[H])C)[H])[H])C1)C)[H] |
| SPLASH | splash10-01xt-0272490000-88f50a003afb895f57ee |
| Source of Spectrum | K-112-2688-0 |
| Synonyms | (25R)-26-Iodo-5-cholesten-3.beta.,16.beta.-diol (3beta,16beta,25R)-26-iodocholest-5-ene-3,16-diol (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2R,6R)-7-iodo-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2R,6R)-7-iodanyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
| Wiley ID | 1403049 |