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2'H-Androst-16-eno[17,16-e][1,2]oxazine-3'-carbonitrile, 2'-cyclohexyl-3',4',16,17-tetrahydro-4'-(hydroxymethyl)-3-methoxy-, (3.beta.,5.alpha.,16.beta.,17.beta.)-
SpectraBase Compound ID EuZJZPwq4Pi
InChI InChI=1S/C22H34O4/c1-21-7-5-13(24)9-12(21)3-4-14-17(21)6-8-22(2)18(14)10-15-16(11-23)20(25)26-19(15)22/h12-19,23-24H,3-11H2,1-2H3/t12-,13-,14?,15+,16?,17?,18?,19-,21?,22?/m0/s1
InChIKey NNOPITDERIBTII-GARWXEPUSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuriyJ8Ou0A
Name 2'H-Androst-16-eno[17,16-e][1,2]oxazine-3'-carbonitrile, 2'-cyclohexyl-3',4',16,17-tetrahydro-4'-(hydroxymethyl)-3-methoxy-, (3.beta.,5.alpha.,16.beta.,17.beta.)-
CAS Registry Number 72166-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-21-7-5-13(24)9-12(21)3-4-14-17(21)6-8-22(2)18(14)10-15-16(11-23)20(25)26-19(15)22/h12-19,23-24H,3-11H2,1-2H3/t12-,13-,14?,15+,16?,17?,18?,19-,21?,22?/m0/s1
InChIKey NNOPITDERIBTII-GARWXEPUSA-N
Molecular Weight 362.510 g/mol
SMILES O[C@]1(CCC2([C@@](CCC3C4C([C@@]5([C@@](C(CO)C(O5)=O)(C4)[H])[H])(CCC23)C)(C1)[H])C)[H]
SPLASH splash10-002f-0009000000-478e42df003bc375c48b
Source of Spectrum H-62-1600-0
Synonyms (2S,6bS,9S,9aR,12aS)-2-hydroxy-9-(hydroxymethyl)-4a,6a-dimethyloctadecahydro-8H-naphtho[2',1':4,5]indeno[1,2-b]furan-8-one 3.beta.-hydroxy-4'.epsilon.-Hydroxymethyl-4',5',16.beta.,17.beta.-tetrahydro-5.alpha.-androstano[17,16-b]furan-5'-one Naphth[2',1':4,5]indeno[1,2-e][1,2]oxazine, 2'h-androst-16-eno[17,16-e][1,2]oxazine-3'-carbonitrile deriv.
Wiley ID 1349840