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Spiro[5H-cyclohepta[f]-1,3-benzodioxole-5,1'-[2,5]cyclohexadien]-4'-one, 6,7,8,9-tetrahydro-9-hydroxy-3',4,5'-trimethoxy-7,8-dimethyl-, [7R-(7.alpha.,8.beta.,9.alpha.)]-
SpectraBase Compound ID 6fa3N6Z49Ef
InChI InChI=1S/C22H26O7/c1-11-7-22(8-15(25-3)19(24)16(9-22)26-4)17-13(18(23)12(11)2)6-14-20(21(17)27-5)29-10-28-14/h6,8-9,11-12,18,23H,7,10H2,1-5H3/t11-,12+,18-/m1/s1
InChIKey USSRYJDSCBOPSN-FTLABTOESA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FqyqxdPHzch
Name Spiro[5H-cyclohepta[f]-1,3-benzodioxole-5,1'-[2,5]cyclohexadien]-4'-one, 6,7,8,9-tetrahydro-9-hydroxy-3',4,5'-trimethoxy-7,8-dimethyl-, [7R-(7.alpha.,8.beta.,9.alpha.)]-
CAS Registry Number 79742-34-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-11-7-22(8-15(25-3)19(24)16(9-22)26-4)17-13(18(23)12(11)2)6-14-20(21(17)27-5)29-10-28-14/h6,8-9,11-12,18,23H,7,10H2,1-5H3/t11-,12+,18-/m1/s1
InChIKey USSRYJDSCBOPSN-FTLABTOESA-N
Molecular Weight 402.443 g/mol
SMILES O[C@]1(c2c(C3(C=C(OC)C(C(=C3)OC)=O)C[C@]([C@@]1(C)[H])(C)[H])c(c1c(OCO1)c2)OC)[H]
SPLASH splash10-0f89-0009100000-3ce5770497416e7955b7
Source of Spectrum B-34-1131-0
Synonyms (12'R,13'S,14'R)-14'-hydroxy-3,5,8'-trimethoxy-12',13'-dimethyl-4',6'-dioxaspiro[cyclohexane-1,10'-tricyclo[7.5.0.0(3,7)]tetradecane]-1'(9'),2,2',5,7'-pentaen-4-one (7R,8S,9R)-9-hydroxy-3',4,5'-trimethoxy-7,8-dimethyl-2,3-methylenedioxy-6,7,8,9-tetrahydrospiro[5H-benzocycloheptene-5,1'-cyclohexa-2',5'-dien]-4'-one
Wiley ID 1370347