Diethyl 3,3,6a-trimethyl-1,2,3a,3a1,4,6,7,11b-octahydro-1H-benzo[de]anthracene-5,5-dicarboxylate

SpectraBase Compound ID	13svPmGbn7h
InChI	InChI=1S/C26H36O4/c1-6-29-22(27)26(23(28)30-7-2)15-20-21-19(12-13-24(20,3)4)18-11-9-8-10-17(18)14-25(21,5)16-26/h8-11,19-21H,6-7,12-16H2,1-5H3/t19-,20-,21+,25-/m0/s1
InChIKey	ANWDZKJFPJHTPT-HULNYRCFSA-N Google Search
Mol Weight	412.6 g/mol
Molecular Formula	C26H36O4
Exact Mass	412.26136 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	7EWC0gCZxdl
Name	Diethyl 3,3,6a-trimethyl-1,2,3a,3a1,4,6,7,11b-octahydro-1H-benzo[de]anthracene-5,5-dicarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H36O4
InChI	InChI=1S/C26H36O4/c1-6-29-22(27)26(23(28)30-7-2)15-20-21-19(12-13-24(20,3)4)18-11-9-8-10-17(18)14-25(21,5)16-26/h8-11,19-21H,6-7,12-16H2,1-5H3/t19-,20-,21+,25-/m0/s1
InChIKey	ANWDZKJFPJHTPT-HULNYRCFSA-N
Literature Reference DOI	10.1021/ol201028f
Molecular Weight	412.570 g/mol
SMILES	C1(C)(C)[C@@]2([C@@]3([C@](CC(C(OCC)=O)(C(=O)OCC)C2)(Cc2c(cccc2)[C@@]3(CC1)[H])C)[H])[H]
SPLASH	splash10-01b9-2983000000-97674fa242252d7cdc2a
Source of Spectrum	A1-13-3320/SMS31-9b
Synonyms	(3aS,3a1S,6aS,11bR)-diethyl 3,3,6a-trimethyl-2,3,3a,4,6,6a,7,11b-octahydro-1H-benzo[de]anthracene-5,5(3a1H)-dicarboxylate Diethyl (3aS,6aS,11bR,11cS)-3,3,6a-trimethyl-1,2,3a,4,6,7,11b,11c-octahydrobenzo[a]phenalene-5,5-dicarboxylate
Wiley ID	1753265