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Sophoracarpan B

CAT: 0931-TN5036Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5036Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1674359-84-2
Target
Others
Related Pathways
Others
Bioactivity
Sophoracarpan B is a natural product from Sophora tomentosa L.
Smiles
CO[C@H]1Oc2cc(O)ccc2[C@@H]2Oc3cc4OCOc4cc3[C@H]12
Molecular Formula
C17H14O6
Molecular Weight
314.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sophoracarpan B

sophoracarpan B has been reported in Euchresta horsfieldii, Sophora fraseri, and other organisms with data available.

CAS Number1674359-84-2
PubChem CID131849417
IUPAC Name(1S,12R,20S)-20-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-ol
Molecular FormulaC17H14O6
Molecular Weight314.29
XLogP2.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
CO[C@@H]1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C17H14O6/c1-19-17-15-10-5-13-14(21-7-20-13)6-12(10)22-16(15)9-3-2-8(18)4-11(9)23-17/h2-6,15-18H,7H2,1H3/t15-,16-,17-/m0/s1
InChIKey
BARRXUGKUYTIQH-ULQDDVLXSA-N
Chemical Structure
2D Structure
2D structure of Sophoracarpan B
CAS: 1674359-84-2
CID: 131849417
Formula: C17H14O6
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass314.07903816
Monoisotopic Mass314.07903816
Topological Polar Surface Area66.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
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

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