| SpectraBase Spectrum ID |
AiHMa4sMKoK |
| Name |
A-Nor-3,5-secocholestan-5-ol, 3-iodo-, formate, (5.beta.)- |
| CAS Registry Number |
93789-83-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H47IO2 |
| InChI |
InChI=1S/C27H47IO2/c1-19(2)8-6-9-20(3)23-10-11-25-22-16-21(30-18-29)17-26(4,13-7-15-28)24(22)12-14-27(23,25)5/h18-25H,6-17H2,1-5H3/t20-,21-,22-,23-,24?,25?,26+,27-/m1/s1 |
| InChIKey |
PCWGNEJHUSJBDR-WBNRDDLFSA-N |
| Molecular Weight |
530.575 g/mol |
| SMILES |
[C@@]12(C([C@@]3(C[C@@](OC=O)(C[C@@](C3CC2)(CCCI)C)[H])[H])CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-0a7i-9010000000-8801f2f5e72343f790fe |
| Source of Spectrum |
J-50-2492-29 |
| Synonyms |
(3R,3aR,6S,8R,9aR)-3-[(1R)-1,5-dimethylhexyl]-6-(3-iodopropyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-8-yl formate |
| Wiley ID |
1403315 |
