| SpectraBase Spectrum ID |
KfWDLR5pbLM |
| Name |
(5R,8S,9S,10S,13R,14S,17R)-2-deuterio-10,13-dimethyl-1-methylene-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime |
| Alternate Name(s) |
(5R,8S,9S,10S,13R,14S,17R)-2-deuterio-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-1-methylene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime
(NZ)-N-[(5R,8S,9S,10S,13R,14S,17R)-2-deuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1-methylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46DNO |
| InChI |
InChI=1S/C28H47NO/c1-18(2)8-7-9-19(3)24-12-13-25-23-11-10-21-17-22(29-30)16-20(4)28(21,6)26(23)14-15-27(24,25)5/h18-19,21,23-26,30H,4,7-17H2,1-3,5-6H3/b29-22+/t19-,21-,23+,24-,25+,26+,27-,28+/m1/s1/i16D/t16?,19-,21-,23+,24-,25+,26+,27-,28+ |
| InChIKey |
PZIPLGQPLRDVNQ-DVKCCVASSA-N |
| Molecular Weight |
414.696 g/mol |
| SMILES |
O\N=C\1C[C@@]2([C@](C(C1[D])=C)([C@@]1([C@@]([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])C)[H] |
| SPLASH |
splash10-0h2s-0904400000-770764e4819b7d853849 |
| Source of Spectrum |
KC-1992-3109-25 |
| Wiley ID |
777366 |
![(5R,8S,9S,10S,13R,14S,17R)-2-deuterio-10,13-dimethyl-1-methylene-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime](/api/spectrum/KfWDLR5pbLM/structure.png?h=300&w=458 "(5R,8S,9S,10S,13R,14S,17R)-2-deuterio-10,13-dimethyl-1-methylene-17-[(2R)-6-methylheptan-2-yl]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one oxime")
