| SpectraBase Spectrum ID |
2kscIt65ien |
| Name |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Alternate Name(s) |
(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-azanylheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H47NO2 |
| InChI |
InChI=1S/C26H47NO2/c1-24-14-12-21(28)18-20(24)9-10-23-22(24)13-15-25(2)19(11-16-26(23,25)29)8-6-4-3-5-7-17-27/h19-23,28-29H,3-18,27H2,1-2H3/t19-,20+,21-,22-,23+,24-,25+,26-/m0/s1 |
| InChIKey |
VVNGDHRMTZOFJP-YWBSXBTGSA-N |
| Molecular Weight |
405.667 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(CCCCCCCN)[H])O)C)[H])C)[H] |
| SPLASH |
splash10-03di-0090200000-df29b0482e8f92e2a096 |
| Source of Spectrum |
F2-43-2345-38 |
| Wiley ID |
1600717 |
![(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol](/api/spectrum/2kscIt65ien/structure.png?h=300&w=458 "(3S,5R,8R,9S,10S,13R,14S,17S)-17-(7-aminoheptyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol")
