2-Secoandrosta-1,4,6-triene-17,19-diol, 2-cyano-4-methyl-, diacetate

SpectraBase Compound ID	HAUNjqhzllf
InChI	InChI=1S/C25H33NO4/c1-16(2)20-8-7-19-21-9-10-23(30-18(4)28)24(21,5)13-11-22(19)25(20,12-6-14-26)15-29-17(3)27/h6-8,12,19,21-23H,9-11,13,15H2,1-5H3/b12-6-
InChIKey	OCZFUOYEBGVEJI-SDQBBNPISA-N Google Search
Mol Weight	411.5 g/mol
Molecular Formula	C25H33NO4
Exact Mass	411.240959 g/mol

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SpectraBase Spectrum ID	5Fix4IDvz7b
Name	2-Secoandrosta-1,4,6-triene-17,19-diol, 2-cyano-4-methyl-, diacetate
Alternate Name(s)	[3-(Acetyloxy)-6-[(Z)-2-cyanoethenyl]-3a-methyl-7-(1-methylethylidene)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl]methyl acetate [3-acetoxy-6-[(Z)-2-cyanovinyl]-7-isopropylidene-3a-methyl-1,2,3,4,5,5a,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate [3-acetyloxy-6-[(Z)-2-cyanoethenyl]-3a-methyl-7-propan-2-ylidene-1,2,3,4,5,5a,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl acetate [3-acetyloxy-6-[(Z)-2-cyanoethenyl]-3a-methyl-7-propan-2-ylidene-1,2,3,4,5,5a,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl ethanoate Acetic acid [3-acetyloxy-6-[(Z)-2-cyanoethenyl]-3a-methyl-7-propan-2-ylidene-1,2,3,4,5,5a,9a,9b-octahydrocyclopenta[a]naphthalen-6-yl]methyl ester
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Formula	C25H33NO4
InChI	InChI=1S/C25H33NO4/c1-16(2)20-8-7-19-21-9-10-23(30-18(4)28)24(21,5)13-11-22(19)25(20,12-6-14-26)15-29-17(3)27/h6-8,12,19,21-23H,9-11,13,15H2,1-5H3/b12-6-
InChIKey	OCZFUOYEBGVEJI-SDQBBNPISA-N
Molecular Weight	411.542 g/mol
SMILES	C1(=C(C)C)C(\C=C/C#N)(C2C(C=C1)C1CCC(C1(CC2)C)OC(=O)C)COC(=O)C
SPLASH	splash10-004l-4981000000-e664e26245929fc0abde
Wiley ID	1477905