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12-(o-Nitrophenylseleno)-5,7.alpha.H,11.beta.H-eudesm-3-en-6.alpha.-ol
SpectraBase Compound ID EtOq9tjaDhH
InChI InChI=1S/C21H29NO3Se/c1-14-7-6-11-21(3)12-10-16(20(23)19(14)21)15(2)13-26-18-9-5-4-8-17(18)22(24)25/h4-5,7-9,15-16,19-20,23H,6,10-13H2,1-3H3/t15-,16-,19-,20+,21-/m1/s1
InChIKey YLEDZMBYUDVFBC-RYFZRTLDSA-N
Mol Weight 422.44 g/mol
Molecular Formula C21H29NO3Se
Exact Mass 423.131266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOWe82rfFgp
Name 12-(o-Nitrophenylseleno)-5,7.alpha.H,11.beta.H-eudesm-3-en-6.alpha.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO3Se
InChI InChI=1S/C21H29NO3Se/c1-14-7-6-11-21(3)12-10-16(20(23)19(14)21)15(2)13-26-18-9-5-4-8-17(18)22(24)25/h4-5,7-9,15-16,19-20,23H,6,10-13H2,1-3H3/t15-,16-,19-,20+,21-/m1/s1
InChIKey YLEDZMBYUDVFBC-RYFZRTLDSA-N
Molecular Weight 422.439 g/mol
SMILES O[C@]1([C@@]([C@@](C[Se]c2c(N(=O)=O)cccc2)(C)[H])(CC[C@]2(CCC=C([C@]12[H])C)C)[H])[H]
SPLASH splash10-0ac4-9610000000-c13321edefe00715682a
Source of Spectrum F-48-857-11
Synonyms (1R,2R,4aR,8aR)-4a,8-Dimethyl-2-[(S)-1-(2-nitro-phenylselanyl)-ethyl]-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-ol (1S,2R,4aR,8aR)-4a,8-dimethyl-2-{(1S)-1-methyl-2-[(2-nitrophenyl)selanyl]ethyl}-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenol
Wiley ID 1378923