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17-Noratisan-13-one, 1-(acetyloxy)-, (1.alpha.,5.beta.,9.beta.,10.alpha.)-
SpectraBase Compound ID CplYOcUmtJO
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h14,16-18H,5-12H2,1-4H3/t14-,16+,17-,18+,20-,21+/m0/s1
InChIKey IDGWCUDVOBDGMN-FHGGUGKYSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3tKyOsgxHc
Name 17-Noratisan-13-one, 1-(acetyloxy)-, (1.alpha.,5.beta.,9.beta.,10.alpha.)-
CAS Registry Number 54195-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-13(22)24-18-7-8-19(2,3)16-6-10-21-9-5-14(15(23)12-21)11-17(21)20(16,18)4/h14,16-18H,5-12H2,1-4H3/t14-,16+,17-,18+,20-,21+/m0/s1
InChIKey IDGWCUDVOBDGMN-FHGGUGKYSA-N
Molecular Weight 332.484 g/mol
SMILES [C@@]12([C@]3([C@@]4(CC([C@](C3)(CC4)[H])=O)CC[C@@]2(C(CC[C@]1(OC(=O)C)[H])(C)C)[H])[H])C
SPLASH splash10-0006-9120000000-72e0f2da7a32795dc83f
Source of Spectrum I-52-2796-12
Synonyms 1H-3,10a-Ethanophenanthrene, 17-noratisan-13-one deriv. (1S,4R,8R,9S,10R,12S)-5,5,9-trimethyl-13-oxotetracyclo[10.2.2.0(1,10).0(4,9)]hexadec-8-yl acetate ent-1.beta.-acetoxy-17-noratisan-16-one
Wiley ID 1329762