| SpectraBase Spectrum ID |
C8u1dpnZd91 |
| Name |
3-Formyloxy-2-iodo-A-nor-2,3-secocholest-5-ene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H45IO2 |
| InChI |
InChI=1S/C27H45IO2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(17-30-18-29)26(4,15-16-28)25(22)13-14-27(23,24)5/h9,18-20,22-25H,6-8,10-17H2,1-5H3/t20-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
BAOXZNZGLUFOPE-HKQCOZBKSA-N |
| Molecular Weight |
528.559 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC=C([C@@]([C@]3(CC2)[H])(CCI)C)COC=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-004i-0009020000-813daabc358489b53f80 |
| Source of Spectrum |
PS-50-1841-12 |
| Synonyms |
[(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(2-iodoethyl)-3a,6-dimethyl-2,3,3a,4,5,5a,6,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]methyl formate |
| Wiley ID |
1403051 |
