| SpectraBase Spectrum ID |
JIub8OFofh3 |
| Name |
2-[[(4R)-1-oxo-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid |
| Alternate Name(s) |
2-[[(4R)-4-[(3R,5R,7R,10S,12S,13R,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
2-[[(4R)-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H45NO7S |
| InChI |
InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17-,18-,19?,20?,21-,22+,24?,25+,26-/m1/s1 |
| InChIKey |
WBWWGRHZICKQGZ-ZKUTWGMOSA-N |
| Molecular Weight |
515.706 g/mol |
| SMILES |
O[C@]1(C[C@]2([C@@](C3C(C4[C@@]([C@@]([C@@](CCC(=O)NCCS(=O)(=O)O)(C)[H])(CC4)[H])([C@](C3)(O)[H])C)[C@@](C2)(O)[H])(CC1)C)[H])[H] |
| SPLASH |
splash10-0udi-2093000000-72c5dadd425a7390c099 |
| Source of Spectrum |
BS-5-90-0 |
| Wiley ID |
1401288 |
![2-[[(4R)-1-oxo-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid](/api/spectrum/JIub8OFofh3/structure.png?h=300&w=458 "2-[[(4R)-1-oxo-4-[(3R,5R,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid")
