| SpectraBase Spectrum ID |
CfDscqknLfp |
| Name |
6-iodo-5,6-seco-B-nor-5.alpha.-cholestan-5-.beta.-ol formate |
| CAS Registry Number |
93789-71-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47IO2 |
| InChI |
InChI=1S/C27H47IO2/c1-19(2)9-8-10-20(3)22-12-13-23-21(17-28)24(14-16-26(22,23)4)27(5)15-7-6-11-25(27)30-18-29/h18-25H,6-17H2,1-5H3/t20-,21?,22-,23?,24?,25+,26-,27-/m1/s1 |
| InChIKey |
CIBIRXKDZNZAFB-SHWXDQFMSA-N |
| Molecular Weight |
530.575 g/mol |
| SMILES |
[C@@]12(C(C(CI)C(CC2)[C@@]2([C@@](OC=O)(CCCC2)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-052b-9004000000-bbbdffc2f7cb816b2d1e |
| Source of Spectrum |
J-50-2492-15 |
| Synonyms |
(1S,2R)-2-[(1R,7aR)-1-[(1R)-1,5-dimethylhexyl]-4-(iodomethyl)-7a-methyloctahydro-1H-inden-5-yl]-2-methylcyclohexyl formate |
| Wiley ID |
1403314 |
