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[2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 5-hydroxy-7,8'-dimethoxy-2',2'-dimethyl-, (S)-
SpectraBase Compound ID 3vreEUbsZBo
InChI InChI=1S/C22H22O6/c1-22(2)6-5-12-7-13(8-19(26-4)21(12)28-22)17-11-16(24)20-15(23)9-14(25-3)10-18(20)27-17/h5-10,17,23H,11H2,1-4H3/t17-/m0/s1
InChIKey OJMPKLCLKJVWDI-KRWDZBQOSA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DLmz2dUZmv
Name [2,6'-Bi-2H-1-benzopyran]-4(3H)-one, 5-hydroxy-7,8'-dimethoxy-2',2'-dimethyl-, (S)-
Alternate Name(s) (2S)-5-hydroxy-7-methoxy-2-(8-methoxy-2,2-dimethyl-2H-chromen-6-yl)-3,4-dihydro-2H-1-benzopyran-4-one Sigmoidin C trimethyl ether
CAS Registry Number 101910-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-22(2)6-5-12-7-13(8-19(26-4)21(12)28-22)17-11-16(24)20-15(23)9-14(25-3)10-18(20)27-17/h5-10,17,23H,11H2,1-4H3/t17-/m0/s1
InChIKey OJMPKLCLKJVWDI-KRWDZBQOSA-N
Molecular Weight 382.412 g/mol
SMILES Oc1c2C(C[C@](Oc2cc(c1)OC)(c1cc2C=CC(Oc2c(c1)OC)(C)C)[H])=O
SPLASH splash10-014i-2019000000-335da9d0c2653e9c57cf
Source of Spectrum KC-1986-36-12
Wiley ID 1360612