epi-Teughrebin

SpectraBase Compound ID	DaBAqYTLaRg
InChI	InChI=1S/C22H28O7/c1-13-8-19(25)22(12-23)16(11-28-14(2)24)4-3-5-18(22)21(13)9-17(29-20(21)26)15-6-7-27-10-15/h4,6-7,10,13,17-19,23,25H,3,5,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,21-,22+/m1/s1
InChIKey	TUNYAQLSSZEZSG-DFNCFAICSA-N Google Search
Mol Weight	404.46 g/mol
Molecular Formula	C22H28O7
Exact Mass	404.183503 g/mol

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SpectraBase Spectrum ID	COVPhcaZm2b
Name	epi-Teughrebin
Alternate Name(s)	(1R,2R,4R,4aR,5'R,8aS)-5'-(furan-3-yl)-4-hydroxy-4a-(hydroxymethyl)-2-methyl-2'-oxo-3,4,4a,7,8,8a-hexahydro-2H-spiro[naphthalene-1,3'-oxolane]-5-ylmethyl acetate Acetic acid [(4aS,5R,5'R,6R,8R,8aR)-5'-(3-furanyl)-8-hydroxy-8a-(hydroxymethyl)-6-methyl-2'-oxo-1-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]yl]methyl ester [(4aS,5R,5'R,6R,8R,8aR)-5'-(furan-3-yl)-8-hydroxy-8a-(hydroxymethyl)-6-methyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-yl]methyl acetate [(4aS,5R,5'R,6R,8R,8aR)-5'-(3-furyl)-8-hydroxy-8a-(hydroxymethyl)-6-methyl-2'-oxo-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-tetrahydrofuran]-1-yl]methyl acetate [(4aS,5R,5'R,6R,8R,8aR)-5'-(furan-3-yl)-8a-(hydroxymethyl)-6-methyl-8-oxidanyl-2'-oxidanylidene-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-yl]methyl ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H28O7
InChI	InChI=1S/C22H28O7/c1-13-8-19(25)22(12-23)16(11-28-14(2)24)4-3-5-18(22)21(13)9-17(29-20(21)26)15-6-7-27-10-15/h4,6-7,10,13,17-19,23,25H,3,5,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,21-,22+/m1/s1
InChIKey	TUNYAQLSSZEZSG-DFNCFAICSA-N
Molecular Weight	404.459 g/mol
SMILES	OC[C@@]12[C@@]([C@@]3([C@@](C[C@]2(O)[H])(C)[H])C(O[C@](C3)(c2cocc2)[H])=O)(CCC=C1COC(=O)C)[H]
SPLASH	splash10-0006-9101000000-fb5f7dc2659a1880c84b
Source of Spectrum	K1-2001-1671-4
Wiley ID	846421