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(-) -Tephrosin

CAT: 0926-FT137972-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FT137972-02Size:5 mg
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CAS Number
76-80-2
Synonyms
12-alpha-Hydroxydeguelin
MDL Number
MFCD00238693
Smiles
CC1 (C=CC2=C (O1) C=CC3=C2O[C@@H]4COC5=CC (=C (C=C5[C@@]4 (C3=O) O) OC) OC) C
Controlled
No

Chemical Information

Tephrosin

Tephrosin is a member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. It has a role as a metabolite, a pesticide and an antineoplastic agent. It is an aromatic ether, an organic heteropentacyclic compound, a cyclic ketone and a member of rotenones.

CAS Number76-80-2
PubChem CID114909
IUPAC Name(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
Molecular FormulaC23H22O7
Molecular Weight410.4
XLogP3
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity720
SMILES
CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC)C
InChI
InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m1/s1
InChIKey
AQBZCCQCDWNNJQ-AUSIDOKSSA-N
Chemical Structure
2D Structure
2D structure of Tephrosin
CAS: 76-80-2
CID: 114909
Formula: C23H22O7
MW: 410.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass410.13655304
Monoisotopic Mass410.13655304
Topological Polar Surface Area83.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity720
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-T102900-50MGTephrosin
HY-N1166A(Rac) -Tephrosin
MBS5825174(Rac)-Tephrosin

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