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1-Phenanthreneacetic acid, 7-(acetyloxy)tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-3,10-dioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]-
SpectraBase Compound ID 9ETtsANDtk2
InChI InChI=1S/C23H32O8/c1-12(24)31-14-6-7-22(2)13(8-14)9-17(25)20-15(22)10-18(26)23(3,21(28)30-5)16(20)11-19(27)29-4/h13-16,20H,6-11H2,1-5H3/t13-,14+,15-,16-,20+,22-,23-/m0/s1
InChIKey MYOSHXOTTJPJND-APHIRJJCSA-N
Mol Weight 436.5 g/mol
Molecular Formula C23H32O8
Exact Mass 436.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fUJA0USd1J
Name 1-Phenanthreneacetic acid, 7-(acetyloxy)tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-3,10-dioxo-, methyl ester, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10a.alpha.)]-
CAS Registry Number 63533-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O8
InChI InChI=1S/C23H32O8/c1-12(24)31-14-6-7-22(2)13(8-14)9-17(25)20-15(22)10-18(26)23(3,21(28)30-5)16(20)11-19(27)29-4/h13-16,20H,6-11H2,1-5H3/t13-,14+,15-,16-,20+,22-,23-/m0/s1
InChIKey MYOSHXOTTJPJND-APHIRJJCSA-N
Molecular Weight 436.501 g/mol
SMILES [C@]1([C@]([C@@]2(C(C[C@]3([C@@]([C@]2(CC1=O)[H])(CC[C@@](OC(=O)C)(C3)[H])C)[H])=O)[H])(CC(=O)OC)[H])(C(=O)OC)C
SPLASH splash10-05ra-0097000000-369b793a1a3000d570f0
Source of Spectrum O-13-310-2
Synonyms (7,8)-dimethyl ester of 1H-2.alpha.-acetyloxy-7.beta.-carboxy-8.alpha.-carboxymethyl-4a.alpha.,7.alpha.-dimethyl-6,9-dioxoperhydrophenanthrene Methyl (1S,2S,4aS,4bS,7R,8aS,10aR)-7-(acetyloxy)-1-(2-methoxy-2-oxoethyl)-2,4b-dimethyl-3,10-dioxotetradecahydro-2-phenanthrenecarboxylate
Wiley ID 1383467