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1-Phenanthreneacetic acid, 3,7-bis(acetyloxy)tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,3.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10 a.alpha.)]-
SpectraBase Compound ID CFRmltND6rl
InChI InChI=1S/C25H38O8/c1-14(26)32-17-9-10-24(3)16(11-17)7-8-18-19(24)12-21(33-15(2)27)25(4,23(29)31-6)20(18)13-22(28)30-5/h16-21H,7-13H2,1-6H3/t16-,17-,18-,19+,20-,21+,24+,25-/m0/s1
InChIKey QAPKEZAMFBDKMO-GLEGUWMMSA-N
Mol Weight 466.6 g/mol
Molecular Formula C25H38O8
Exact Mass 466.256668 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9O7rLR2lYEb
Name 1-Phenanthreneacetic acid, 3,7-bis(acetyloxy)tetradecahydro-2-(methoxycarbonyl)-2,4b-dimethyl-, methyl ester, [1S-(1.alpha.,2.beta.,3.beta.,4a.beta.,4b.alpha.,7.beta.,8a.alpha.,10 a.alpha.)]-
Alternate Name(s) (7,8)dimethyl ester of 1H-2.alpha.,6.alpha.-diacetyloxy-7.beta.-carboxy-8.alpha.-carboxymethyl-4a.alpha.,7.alpha.-dimethylperhydrophenanthrene Methyl (1S,2S,3R,4aR,4bR,7S,8aS,10aS)-3,7-bis(acetyloxy)-1-(2-methoxy-2-oxoethyl)-2,4b-dimethyltetradecahydro-2-phenanthrenecarboxylate
CAS Registry Number 68702-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O8
InChI InChI=1S/C25H38O8/c1-14(26)32-17-9-10-24(3)16(11-17)7-8-18-19(24)12-21(33-15(2)27)25(4,23(29)31-6)20(18)13-22(28)30-5/h16-21H,7-13H2,1-6H3/t16-,17-,18-,19+,20-,21+,24+,25-/m0/s1
InChIKey QAPKEZAMFBDKMO-GLEGUWMMSA-N
Molecular Weight 466.571 g/mol
SMILES [C@]1([C@]([C@]2(CC[C@@]3([C@]([C@@]2(C[C@]1(OC(=O)C)[H])[H])(CC[C@](OC(=O)C)(C3)[H])C)[H])[H])(CC(=O)OC)[H])(C(=O)OC)C
SPLASH splash10-0079-0094300000-e04700a6bf4701122d3e
Source of Spectrum O-13-308-1
Wiley ID 1391939