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Artoheterophyllin B

CAT: 0926-ZWB01737-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-ZWB01737-01Size:5 mg
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CAS Number
1174017-37-8
MDL Number
MFCD20274674
Smiles
CC (=CCC1=C (C (=C2C (=C1O) C (=O) C3=C (O2) C4=CC (=C (C=C4OC3C=C (C) C) O) O) CC=C (C) C) O) C
Molecular Formula
C30H32O7
Molecular Weight
504.6 g/mol
Controlled
No

Chemical Information

Artoheterophyllin B

cyclorigidol has been reported in Artocarpus rigidus and Artocarpus heterophyllus with data available.

CAS Number1174017-37-8
PubChem CID44226791
IUPAC Name2,3,8,10-tetrahydroxy-9,11-bis(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one
Molecular FormulaC30H32O7
Molecular Weight504.6
XLogP7.4
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity995
SMILES
CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=CC(=C(C=C4OC3C=C(C)C)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C30H32O7/c1-14(2)7-9-17-26(33)18(10-8-15(3)4)29-25(27(17)34)28(35)24-23(11-16(5)6)36-22-13-21(32)20(31)12-19(22)30(24)37-29/h7-8,11-13,23,31-34H,9-10H2,1-6H3
InChIKey
MOPJKKUUKHCZPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Artoheterophyllin B
CAS: 1174017-37-8
CID: 44226791
Formula: C30H32O7
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP37.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass504.21480336
Monoisotopic Mass504.21480336
Topological Polar Surface Area116 Ų
Heavy Atom Count37
Formal Charge0
Complexity995
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N2903Artoheterophyllin B

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