| SpectraBase Spectrum ID |
BnVXPJD5WSo |
| Name |
27-Nor-9,10-secoergosta-5,7,10(19),22-tetraen-25-one, 3-hydroxy-, (3.beta.,5Z,7E,22E,24.xi.)- |
| Alternate Name(s) |
(3S,4E,6R)-6-[(1R,3aS,4E,7aR)-4-{2-[(1Z,5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]-3-methylhept-4-en-2-one
Keto vitamin D2 analogue |
| CAS Registry Number |
90047-24-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O2 |
| InChI |
InChI=1S/C27H40O2/c1-18(21(4)28)8-9-20(3)25-14-15-26-22(7-6-16-27(25,26)5)11-12-23-17-24(29)13-10-19(23)2/h8-9,11-12,18,20,24-26,29H,2,6-7,10,13-17H2,1,3-5H3/b9-8+,22-11+,23-12-/t18-,20+,24-,25+,26-,27+/m0/s1 |
| InChIKey |
KJWAMQBQSKJEND-OSVQTYQESA-N |
| Molecular Weight |
396.615 g/mol |
| SMILES |
O[C@@]1(C\C(=C\C=C\2[C@]3([C@@]([C@](CC3)([C@@](\C=C\[C@@](C(=O)C)(C)[H])(C)[H])[H])(CCC2)C)[H])C(CC1)=C)[H] |
| SPLASH |
splash10-00ks-0913000000-30af7c4fe793bc2395f6 |
| Source of Spectrum |
J-49-2151-0 |
| Wiley ID |
1367757 |
