| SpectraBase Spectrum ID |
DtSvLeGRHRq |
| Name |
2-[(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]oxyethanoic acid |
| Alternate Name(s) |
2-[(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]oxyacetic acid
2-[(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]oxyacetic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H35NO5 |
| InChI |
InChI=1S/C22H35NO5/c1-20-8-6-16(24)11-14(20)3-4-18-17(20)7-9-21(2)15(5-10-22(18,21)27)12-23-28-13-19(25)26/h12,14-18,24,27H,3-11,13H2,1-2H3,(H,25,26)/b23-12+/t14-,15-,16+,17+,18-,20+,21-,22+/m1/s1 |
| InChIKey |
NGGOHBDMDYCVEZ-FYASNPDGSA-N |
| Molecular Weight |
393.524 g/mol |
| SMILES |
OC(CO\N=C\[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@]4(CC[C@]3([C@]2(CC1)O)[H])[H])(O)[H])C)[H])C)[H])=O |
| SPLASH |
splash10-0udi-0090000000-dc2591e76bfcd785fa6c |
| Source of Spectrum |
F2-43-2342-10 |
| Wiley ID |
1600743 |
![2-[(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]oxyethanoic acid](/api/spectrum/DtSvLeGRHRq/structure.png?h=300&w=458 "2-[(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]oxyethanoic acid")
