| SpectraBase Spectrum ID |
8YGCLgLF04L |
| Name |
20,21,22,22,23,23-Hexadehydro-18,21-cyclo-9,10-seco-cholesta-5,7,10(19)-triene-1,3,25-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O3 |
| InChI |
InChI=1S/C27H36O3/c1-18-21(16-22(28)17-25(18)29)9-8-19-7-5-14-27-15-12-20(6-4-13-26(2,3)30)24(27)11-10-23(19)27/h8-9,12,22-25,28-30H,1,5,7,10-11,13-17H2,2-3H3/b19-8+,21-9-/t22?,23-,24+,25?,27+/m0/s1 |
| InChIKey |
KRANUHHNUDZMQX-KHRRKOIJSA-N |
| Molecular Weight |
408.582 g/mol |
| SMILES |
OC(CC#CC=1[C@@]2([C@@]3([C@](\C(=C\C=C/4C(C(CC(C4)O)O)=C)CCC3)(CC2)[H])CC1)[H])(C)C |
| SPLASH |
splash10-0002-0912000000-191e4f8b72f18315f240 |
| Source of Spectrum |
H-85-3259-7 |
| Synonyms |
(5Z)-5-[(2E)-2-((3aS,5aS,9aR)-3-(4-hydroxy-4-methyl-1-pentynyl)-3a,4,5,5a,8,9-hexahydro-1H-cyclopenta[c]inden-6(7H)-ylidene)ethylidene]-4-methylene-1,3-cyclohexanediol |
| Wiley ID |
1524932 |
