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6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 4-(3,7-dimethyl-2,6-octadienyl)-6a,12a-dihydro-, (6aS-cis)-
SpectraBase Compound ID KTmnJGazvCN
InChI InChI=1S/C26H28O5/c1-15(2)5-4-6-16(3)7-8-17-21(27)10-9-18-25(17)28-13-20-19-11-23-24(30-14-29-23)12-22(19)31-26(18)20/h5,7,9-12,20,26-27H,4,6,8,13-14H2,1-3H3/b16-7-
InChIKey MNVKKIZBXXYHDP-APSNUPSMSA-N
Mol Weight 420.51 g/mol
Molecular Formula C26H28O5
Exact Mass 420.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4S39VJyzTGp
Name 6H-[1,3]Dioxolo[5,6]benzofuro[3,2-c][1]benzopyran-3-ol, 4-(3,7-dimethyl-2,6-octadienyl)-6a,12a-dihydro-, (6aS-cis)-
Alternate Name(s) 4-[(2E)-3,7-Dimethyl-2,6-octadienyl]-6a,12a-dihydro-6H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]chromen-3-ol Nitiducol
CAS Registry Number 66446-94-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28O5
InChI InChI=1S/C26H28O5/c1-15(2)5-4-6-16(3)7-8-17-21(27)10-9-18-25(17)28-13-20-19-11-23-24(30-14-29-23)12-22(19)31-26(18)20/h5,7,9-12,20,26-27H,4,6,8,13-14H2,1-3H3/b16-7-
InChIKey MNVKKIZBXXYHDP-APSNUPSMSA-N
Molecular Weight 420.505 g/mol
SMILES Oc1c(C\C=C/(CCC=C(C)C)C)c2c(cc1)C1C(CO2)c2cc3c(cc2O1)OCO3
SPLASH splash10-0fdk-0960300000-412332e503fe1ac7e103
Source of Spectrum KC-1978-143-0
Wiley ID 1378090