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[3R-(3.beta.,3a.alpha.,5aR,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid Methyl ester
SpectraBase Compound ID BHFlN959osW
InChI InChI=1S/C21H32O2/c1-19(2)10-5-11-20(3)16(19)9-13-21-12-8-15(21)14(18(22)23-4)6-7-17(20)21/h8,12,14-17H,5-7,9-11,13H2,1-4H3/t14-,15-,16+,17-,20+,21-/m0/s1
InChIKey NORLVDOPZIRTEN-OBEJHBQOSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FMHTNld1gI
Name [3R-(3.beta.,3a.alpha.,5aR,7a.alpha.,11a.beta.,11b.alpha.)]-(+)-1,3,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthren-3-carboxylic Acid Methyl ester
CAS Registry Number 138644-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-19(2)10-5-11-20(3)16(19)9-13-21-12-8-15(21)14(18(22)23-4)6-7-17(20)21/h8,12,14-17H,5-7,9-11,13H2,1-4H3/t14-,15-,16+,17-,20+,21-/m0/s1
InChIKey NORLVDOPZIRTEN-OBEJHBQOSA-N
Molecular Weight 316.485 g/mol
SMILES [C@@]123[C@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)(CC[C@@]([C@]2([H])C=C1)(C(=O)OC)[H])[H]
SPLASH splash10-0a4l-9100000000-30a1369e4a0d5c34969f
Source of Spectrum J-57-6868-14
Synonyms Methyl (3S,3aS,5aR,7aR,11aR,11bS)-8,8,11a-trimethyl-1,3,3a,6,7,7a,8,9,10,11,11a,11b-dodecahydro-2H-cyclobuta[j]phenanthrene-3-carboxylate
Wiley ID 1317313