| SpectraBase Spectrum ID |
AqGQq0jqpoy |
| Name |
[3R-(3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-6.alpha.-hydroxy-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthrene-3.beta.-carbonitrile |
| Alternate Name(s) |
(3R,3aS,5aS,6R,11aS)-6-hydroxy-8,8,11a-trimethyl-1,3,3a,6,7,7a,8,9,10,11,11a,11b-dodecahydro-2H-cyclobuta[j]phenanthrene-3-carbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H29NO |
| InChI |
InChI=1S/C20H29NO/c1-18(2)8-4-9-19(3)15-6-5-13(12-21)14-7-10-20(14,15)17(22)11-16(18)19/h7,10,13-17,22H,4-6,8-9,11H2,1-3H3/t13-,14+,15?,16?,17+,19+,20-/m0/s1 |
| InChIKey |
NPLVGVUHUQUXLZ-VJIDNIPDSA-N |
| Molecular Weight |
299.458 g/mol |
| SMILES |
O[C@]1([C@]23C([C@]4(CCCC(C4C1)(C)C)C)CC[C@@](C#N)([C@]2(C=C3)[H])[H])[H] |
| SPLASH |
splash10-00r6-9430000000-cb543052e520221d5c89 |
| Source of Spectrum |
KC-1993-1866-7 |
| Wiley ID |
778602 |
![#7;[3R-(3A-ALPHA,5AS,7A-ALPHA,11A-BETA,11B-ALPHA)]-(+)-1,3,3A,6,7,7A,8,9,10,11,11A,11B-DODECAHYDRO-6-ALPHA-HYDROXY-8,8,11A-TRIMETHYL-2H-CYClOBUTA-[J]-PHENANTHR](/api/spectrum/AqGQq0jqpoy/structure.png?h=300&w=458 "#7;[3R-(3A-ALPHA,5AS,7A-ALPHA,11A-BETA,11B-ALPHA)]-(+)-1,3,3A,6,7,7A,8,9,10,11,11A,11B-DODECAHYDRO-6-ALPHA-HYDROXY-8,8,11A-TRIMETHYL-2H-CYClOBUTA-[J]-PHENANTHR")
