| SpectraBase Spectrum ID |
4ajNvyp6Yto |
| Name |
(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-bis(fluoranyl)-3-(methoxymethoxy)-5-methyl-hexan-2-yl]-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-difluoro-3-(methoxymethoxy)-5-methylhexan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46F2O4 |
| InChI |
InChI=1S/C28H46F2O4/c1-16(2)28(29,30)25(34-15-33-6)17(3)20-7-8-21-19-14-24(32)23-13-18(31)9-11-27(23,5)22(19)10-12-26(20,21)4/h16-23,25,31H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,25+,26+,27+/m0/s1 |
| InChIKey |
UXQMJHNJESNKMT-FWBDRKSBSA-N |
| Molecular Weight |
484.669 g/mol |
| SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC(=O)[C@@]2(C1)[H])[H])(CC[C@@]4([C@@]([C@](C(F)(F)C(C)C)(OCOC)[H])(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-0002-9004000000-c68097468e78b586aa6f |
| Source of Spectrum |
KC-1993-798-10 |
| Wiley ID |
779395 |
![(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/4ajNvyp6Yto/structure.png?h=300&w=458 "(3R,5R,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one")
