2-[[[[(3α,5β,7α,12α,20S)-3,7,12-Trihydroxy-20-methylpregnan-21-yl]seleno-75Se]acetyl]amino]ethanesulfonic acid
CAS Registry Number®
75018-70-1
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CAS Name
2-[[[[(3α,5β,7α,12α,20S)-3,7,12-Trihydroxy-20-methylpregnan-21-yl]seleno-75Se]acetyl]amino]ethanesulfonic acidMolecular Formula
C26H45NO7SSeCite this Page
2-[[[[(3α,5β,7α,12α,20S)-3,7,12-Trihydroxy-20-methylpregnan-21-yl]seleno-75Se]acetyl]amino]ethanesulfonic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=75018-70-1 (retrieved ) (CAS RN: 75018-70-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H45NO7SSe/c1-15(13-36-14-23(31)27-8-9-35(32,33)34)18-4-5-19-24-20(12-22(30)26(18,19)3)25(2)7-6-17(28)10-16(25)11-21(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/i36-4
InChIKey
InChIKey=JCMLWGQJPSGGEI-DJQDYNOGSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](C[75Se]CC(NCCS(=O)(=O)O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(NCCS(=O)(=O)O)C[Se]CC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Ethanesulfonic acid, 2-[[[[(3α,5β,7α,12α,20S)-3,7,12-trihydroxy-20-methylpregnan-21-yl]seleno-75Se]acetyl]amino]-
- 2-[[[[(3α,5β,7α,12α,20S)-3,7,12-Trihydroxy-20-methylpregnan-21-yl]seleno-75Se]acetyl]amino]ethanesulfonic acid
Deleted or Replaced CAS Registry Numbers
114746-92-8
