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Sophoracarpan A

CAT: 0931-TN5035Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5035Size:1 mg
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CAS Number
1674359-82-0
Target
Others
Related Pathways
Others
Bioactivity
Sophoracarpan A is a natural product from Sophora tomentosa L.
Smiles
CO[C@H]1Oc2cc(O)ccc2[C@H]2Oc3cc(OC)ccc3[C@H]12
Molecular Formula
C17H16O5
Molecular Weight
300.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(6S,6As,11aR)-6,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol

CID 131849416 has been reported in Sophora tomentosa and Sophora tetraptera with data available.

CAS Number1674359-82-0
PubChem CID131849416
IUPAC Name(6S,6aS,11aR)-6,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP2.6
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity403
SMILES
CO[C@@H]1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=C2C=CC(=C4)OC
InChI
InChI=1S/C17H16O5/c1-19-10-4-6-11-14(8-10)21-16-12-5-3-9(18)7-13(12)22-17(20-2)15(11)16/h3-8,15-18H,1-2H3/t15-,16-,17-/m0/s1
InChIKey
VDHFFCPQILOKFG-ULQDDVLXSA-N
Chemical Structure
2D Structure
2D structure of (6S,6As,11aR)-6,9-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CAS: 1674359-82-0
CID: 131849416
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area57.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
ZRC35982-01Sophoracarpan A
GTR19180562Sophoracarpan B

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