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Methyl 3.alpha.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-androstan-17-oate
SpectraBase Compound ID J7EMZx9wufl
InChI InChI=1S/C22H35NO5/c1-13(24)28-15-7-9-21(2)14(11-15)5-6-16-17(21)8-10-22(3,20(26)27-4)18(16)12-19(23)25/h14-18H,5-12H2,1-4H3,(H2,23,25)/t14-,15+,16+,17-,18-,21-,22-/m0/s1
InChIKey UGWHKAIHQPENIO-BZFPSNDOSA-N
Mol Weight 393.5 g/mol
Molecular Formula C22H35NO5
Exact Mass 393.251523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K243eEwAFsL
Name Methyl 3.alpha.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-androstan-17-oate
CAS Registry Number 85639-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35NO5
InChI InChI=1S/C22H35NO5/c1-13(24)28-15-7-9-21(2)14(11-15)5-6-16-17(21)8-10-22(3,20(26)27-4)18(16)12-19(23)25/h14-18H,5-12H2,1-4H3,(H2,23,25)/t14-,15+,16+,17-,18-,21-,22-/m0/s1
InChIKey UGWHKAIHQPENIO-BZFPSNDOSA-N
Molecular Weight 393.524 g/mol
SMILES NC(C[C@]1([C@]2([C@@]([C@@]3([C@](C[C@](OC(=O)C)(CC3)[H])(CC2)[H])C)(CC[C@@]1(C(=O)OC)C)[H])[H])[H])=O
SPLASH splash10-0006-0019000000-6eb58f730eca4fae2344
Source of Spectrum AJ-56-356-4
Synonyms Methyl (1S,2S,4aS,4bS,7R,8aS,10aR)-7-(acetyloxy)-1-(2-amino-2-oxoethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenecarboxylate
Wiley ID 1366299