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3.beta.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-androstan-17-oic acid
SpectraBase Compound ID Fiunu00R6Td
InChI InChI=1S/C21H33NO5/c1-12(23)27-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3,19(25)26)17(15)11-18(22)24/h13-17H,4-11H2,1-3H3,(H2,22,24)(H,25,26)/t13-,14-,15+,16-,17?,20-,21-/m0/s1
InChIKey KWKOZXMGJLGRBA-ZRZDDULNSA-N
Mol Weight 379.5 g/mol
Molecular Formula C21H33NO5
Exact Mass 379.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ce2YBaadGui
Name 3.beta.-acetoxy-16-carbamoyl-16,17-seco-5.alpha.-androstan-17-oic acid
CAS Registry Number 75886-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO5
InChI InChI=1S/C21H33NO5/c1-12(23)27-14-6-8-20(2)13(10-14)4-5-15-16(20)7-9-21(3,19(25)26)17(15)11-18(22)24/h13-17H,4-11H2,1-3H3,(H2,22,24)(H,25,26)/t13-,14-,15+,16-,17?,20-,21-/m0/s1
InChIKey KWKOZXMGJLGRBA-ZRZDDULNSA-N
Molecular Weight 379.497 g/mol
SMILES NC(CC1[C@@]2(CC[C@@]3([C@@]([C@]2(CC[C@@]1(C(=O)O)C)[H])(CC[C@@](C3)(OC(=O)C)[H])C)[H])[H])=O
SPLASH splash10-0ufr-0079000000-3bc0b1b121f776527109
Source of Spectrum AJ-56-355-3
Synonyms (2S,4aS,4bS,7S,8aS,10aR)-7-(acetyloxy)-1-(2-amino-2-oxoethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenecarboxylic acid
Wiley ID 1359290