ADUNCTIN-E,(5'AR*,6'S*,9'R*,9'AS*)-1-[5'A,6',7',8',9',9'A-HEXAHYDRO-3',6'-DIHYDROXY-1'-METHOXY-6'-METHYL-9'-(1''-METHYLETHYL)-DIBENZO-[B,D]-FURAN-4'-YL]-3-PHENY - Optional[MS (GC)] - Spectrum

SpectraBase Compound ID	AVpIJ32WzuE
InChI	InChI=1S/C26H32O5/c1-15(2)17-12-13-26(3,29)25-21(17)23-20(30-4)14-19(28)22(24(23)31-25)18(27)11-10-16-8-6-5-7-9-16/h5-9,14-15,17,21,25,28-29H,10-13H2,1-4H3/t17-,21+,25-,26+/m1/s1
InChIKey	OQZVJZANQOAJDB-DHGXCEOKSA-N Google Search
Mol Weight	424.5 g/mol
Molecular Formula	C26H32O5
Exact Mass	424.224974 g/mol

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SpectraBase Spectrum ID	K9Dd32i51tb
Name	1-[(5aR,6S,9R,9aS)-1-methoxy-6-methyl-3,6-bis(oxidanyl)-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenyl-propan-1-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H32O5
InChI	InChI=1S/C26H32O5/c1-15(2)17-12-13-26(3,29)25-21(17)23-20(30-4)14-19(28)22(24(23)31-25)18(27)11-10-16-8-6-5-7-9-16/h5-9,14-15,17,21,25,28-29H,10-13H2,1-4H3/t17-,21+,25-,26+/m1/s1
InChIKey	OQZVJZANQOAJDB-DHGXCEOKSA-N
Molecular Weight	424.537 g/mol
SMILES	O[C@]1(CC[C@@]([C@@]2([C@]1(Oc1c2c(cc(c1C(=O)CCc1ccccc1)O)OC)[H])[H])(C(C)C)[H])C
SPLASH	splash10-0002-3900000000-b1c2491df42c27b243eb
Source of Spectrum	H-76-1488-5
Synonyms	1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenyl-1-propanone 1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-1-methoxy-6-methyl-9-propan-2-yl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenylpropan-1-one 1-[(5aR,6S,9R,9aS)-3,6-dihydroxy-9-isopropyl-1-methoxy-6-methyl-7,8,9,9a-tetrahydro-5aH-dibenzofuran-4-yl]-3-phenyl-propan-1-one
Wiley ID	1379399