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9-Anthracenol, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-2,3,6,7-tetramethyl-, 3,5-dinitrobenzoate, (4a.alpha.,8a.alpha.,9.alpha.,9a.beta.,10a.beta.)-(.+-.)-
SpectraBase Compound ID B9WdzKptFYQ
InChI InChI=1S/C25H30N2O6/c1-13-5-17-9-18-6-14(2)16(4)8-23(18)24(22(17)7-15(13)3)33-25(28)19-10-20(26(29)30)12-21(11-19)27(31)32/h10-12,17-18,22-24H,5-9H2,1-4H3/t17-,18-,22+,23+/m0/s1
InChIKey UDTZNLBCPNQKNH-ZRGHVXQMSA-N
Mol Weight 454.52 g/mol
Molecular Formula C25H30N2O6
Exact Mass 454.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAGNhnrkgp
Name 9-Anthracenol, 1,4,4a,5,8,8a,9,9a,10,10a-decahydro-2,3,6,7-tetramethyl-, 3,5-dinitrobenzoate, (4a.alpha.,8a.alpha.,9.alpha.,9a.beta.,10a.beta.)-(.+-.)-
CAS Registry Number 125279-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N2O6
InChI InChI=1S/C25H30N2O6/c1-13-5-17-9-18-6-14(2)16(4)8-23(18)24(22(17)7-15(13)3)33-25(28)19-10-20(26(29)30)12-21(11-19)27(31)32/h10-12,17-18,22-24H,5-9H2,1-4H3/t17-,18-,22+,23+/m0/s1
InChIKey UDTZNLBCPNQKNH-ZRGHVXQMSA-N
Molecular Weight 454.523 g/mol
SMILES C1([C@]2([C@](CC(=C(C2)C)C)([H])C[C@]2([C@]1(CC(=C(C)C2)C)[H])[H])[H])OC(c1cc(N(=O)=O)cc(N(=O)=O)c1)=O
SPLASH splash10-0006-9510000000-c130de24ae9e25a7388d
Source of Spectrum B-42-537-13
Synonyms (+-)-9-(3,5-Dinitrobenzoyloxy)-2,3,6,7-tetramethyl-1,4,4.alpha.,5,8,8a.alpha.9.alpha.,9a.beta.,10,10a.beta.-decahydroanthracene (4aR,8aR,9aR,10aR)-2,3,6,7-tetramethyl-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9-anthracenyl 3,5-dinitrobenzoate
Wiley ID 1388772