| SpectraBase Spectrum ID |
AArE3h5urBB |
| Name |
(22E)-20,21,22,23-Tetradehydro-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 |
C27H38O3 |
| InChI |
InChI=1S/C27H38O3/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/h4,6,8-9,12,22-25,28-30H,1,5,7,10-11,13-17H2,2-3H3/b6-4+,19-8+,21-9-/t22?,23-,24+,25?,27+/m0/s1 |
| InChIKey |
UNQXFZTVGNEYBO-KSIWKACNSA-N |
| Molecular Weight |
410.598 g/mol |
| SMILES |
OC(C\C=C\C=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 |
splash10-0a4i-8629000000-0873ff66f47194874f61 |
| Source of Spectrum |
H-85-3259-7 |
| Synonyms |
20,21,22,23-Tetradehydro-18,21-cyclo-9,10-seco-cholesta-5,7,10(19)-triene-1,3,25-triol
(5Z)-5-[(2E)-2-((3aS,5aS,9aR)-3-[(1E)-4-hydroxy-4-methyl-1-pentenyl]-3a,4,5,5a,8,9-hexahydro-1H-cyclopenta[c]inden-6(7H)-ylidene)ethylidene]-4-methylene-1,3-cyclohexanediol |
| Wiley ID |
1524609 |
