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Triptolide 25mg

CAT: 0628-A11596-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A11596-25Size:25 mg
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CAS Number
38748-32-2

Chemical Information

Triptolide

Triptolide is a diterpenoid, an epoxide, an organic heteroheptacyclic compound and a gamma-lactam. It has a role as an antispermatogenic agent and a plant metabolite.

CAS Number38748-32-2
PubChem CID107985
IUPAC Name(1S,2S,4S,5S,7R,8R,9S,11S,13S)-8-hydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
Molecular FormulaC20H24O6
Molecular Weight360.4
XLogP0.2
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity819
SMILES
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
InChI
InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1
InChIKey
DFBIRQPKNDILPW-CIVMWXNOSA-N
Chemical Structure
2D Structure
2D structure of Triptolide
CAS: 38748-32-2
CID: 107985
Formula: C20H24O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass360.15728848
Monoisotopic Mass360.15728848
Topological Polar Surface Area84.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity819
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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