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

SpectraBase Compound ID	4wenlzZb8b0
InChI	InChI=1S/C27H46O3/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/h15,17-18,20-25,28-29H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1
InChIKey	HVEISQBNNIKICS-QHDXZFEXSA-N Google Search
Mol Weight	418.7 g/mol
Molecular Formula	C27H46O3
Exact Mass	418.344695 g/mol

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SpectraBase Spectrum ID	6YPqBISAyMQ
Name	1H-Cyclopenta[5,6]naphth[2,1-c]oxepin, A-homo-4-oxacholest-5-ene-3,7-diol deriv.
Alternate Name(s)	A-Homo-4-oxacholest-5-ene-3,7-diol, (3.beta.,7.alpha.)- (3R,5aR,5bS,7aR,8R,10aS,10bS,11S)-8-[(1R)-1,5-dimethylhexyl]-5a,7a-dimethyl-3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,11-tetradecahydro-1H-cyclopenta[5,6]naphtho[2,1-c]oxepin-3,11-diol 4-Oxa-a-homocholest-5-en-3,7-diol
CAS Registry Number	113680-66-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H46O3
InChI	InChI=1S/C27H46O3/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/h15,17-18,20-25,28-29H,6-14,16H2,1-5H3/t18-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1
InChIKey	HVEISQBNNIKICS-QHDXZFEXSA-N
Molecular Weight	418.662 g/mol
SMILES	O[C@]1(CC[C@]2(C(=C[C@]([C@]3([C@]4([C@](CC[C@]23[H])([C@](CC4)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(O)[H])CO1)C)[H]
SPLASH	splash10-0pb9-9005300000-eba7d3bb507888e769f2
Source of Spectrum	AJ-60-1080-17
Wiley ID	1377463