| SpectraBase Spectrum ID |
6o9YACYoRLA |
| Name |
1-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]thiourea |
| Alternate Name(s) |
[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methyleneamino]thiourea
[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H35N3O2S |
| InChI |
InChI=1S/C21H35N3O2S/c1-19-8-6-15(25)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)26)12-23-24-18(22)27/h12-17,25-26H,3-11H2,1-2H3,(H3,22,24,27)/b23-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1 |
| InChIKey |
PZDORAXZORNBQY-HSYQFJABSA-N |
| Molecular Weight |
393.590 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@@]([C@@]3(CC[C@@]2(C1)[H])[H])(CC[C@@]4(\C=N\NC(=S)N)[H])O)C)[H])C)[H] |
| SPLASH |
splash10-0pb9-9622000000-c5a05f2e9e5a974fa0de |
| Source of Spectrum |
E1-39-3392-11 |
| Wiley ID |
1598903 |
![1-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]thiourea](/api/spectrum/6o9YACYoRLA/structure.png?h=300&w=458 "1-[(E)-[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]methylideneamino]thiourea")
