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Trametenolic acid

CAT: 1410-M31264-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Trametenolic acid is a cytotoxic agent.It exhibits a mode of mixed inhibition with a K I of 0.9μM, K IS of 0.5μM, and an IC50 of 7.25μM.
CAS Number
24160-36-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
456.7
Molecular Formula
C30H48O3
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Trametenolic Acid

Trametenolic acid B is a triterpenoid.

CAS Number24160-36-9
PubChem CID12309443
IUPAC Name(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Molecular FormulaC30H48O3
Molecular Weight456.7
XLogP7.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity862
SMILES
CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C
InChI
InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1
InChIKey
NBSBUIQBEPROBM-GIICLEHTSA-N
Chemical Structure
2D Structure
2D structure of Trametenolic Acid
CAS: 24160-36-9
CID: 12309443
Formula: C30H48O3
MW: 456.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.7
XLogP37.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass456.36034539
Monoisotopic Mass456.36034539
Topological Polar Surface Area57.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity862
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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