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119269-72-6 | 6H,10H-Furo[3,2-c:4,5-g']bis[1]benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-buten-1-yl)-
CAS No: 119269-72-6 Catalog No: AG000IH0 MDL No:
Product Description
Catalog Number:
AG000IH0
Chemical Name:
6H,10H-Furo[3,2-c:4,5-g']bis[1]benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-buten-1-yl)-
CAS Number:
119269-72-6
Molecular Formula:
C25H26O4
Molecular Weight:
390.4715
IUPAC Name:
7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol
InChI:
InChI=1S/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3
InChI Key:
ZWEQONVPSDWALR-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)ccc2c1OCC1C2Oc2c1cc1c(c2)OC(C=C1)(C)C)C
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.183g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.479g/mol
Monoisotopic Mass:
390.183g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Literature
| Title | Journal |
|---|---|
| Prenylated isoflavanone from Erythrina eriotricha. | Phytochemistry 19951201 |
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