1H-Cyclopenta[5,6]naphth[2,1-c]oxepin, A-homo-4-oxacholest-5-ene-3,7-dione deriv.

SpectraBase Compound ID	8H0OEr9Ly2F
InChI	InChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)20-9-10-21-25-22(11-13-27(20,21)5)26(4)14-12-24(29)30-16-19(26)15-23(25)28/h15,17-18,20-22,25H,6-14,16H2,1-5H3/t18-,20-,21+,22+,25+,26+,27-/m1/s1
InChIKey	CCGHMTPPDCVYSI-COOYIMFRSA-N Google Search
Mol Weight	414.6 g/mol
Molecular Formula	C27H42O3
Exact Mass	414.313395 g/mol

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SpectraBase Spectrum ID	KaCP8HEKDyX
Name	1H-Cyclopenta[5,6]naphth[2,1-c]oxepin, A-homo-4-oxacholest-5-ene-3,7-dione deriv.
CAS Registry Number	113680-68-5
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H42O3
InChI	InChI=1S/C27H42O3/c1-17(2)7-6-8-18(3)20-9-10-21-25-22(11-13-27(20,21)5)26(4)14-12-24(29)30-16-19(26)15-23(25)28/h15,17-18,20-22,25H,6-14,16H2,1-5H3/t18-,20-,21+,22+,25+,26+,27-/m1/s1
InChIKey	CCGHMTPPDCVYSI-COOYIMFRSA-N
Molecular Weight	414.630 g/mol
SMILES	[C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CCC(=O)OC4)C)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-0bt9-0043900000-366927b9d5eb943535f9
Source of Spectrum	AJ-60-1080-18
Synonyms	A-Homo-4-oxacholest-5-ene-3,7-dione (5aR,5bS,7aR,8R,10aS,10bS)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b-dodecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3,11-dione 4-Oxa-a-homocholest-5-en-3,7-dione
Wiley ID	1375701