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Trichokaurin

CAT: 0926-YAA81150-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-YAA81150-01Size:10 mg
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CAS Number
23811-50-9
MDL Number
MFCD26406083
Smiles
CC (=O) OC1C2C (CCC (C23COC1 (C45C3CCC (C4) C (=C) C5OC (=O) C) O) O) (C) C
Molecular Formula
C24H34O7
Molecular Weight
434.5 g/mol
Controlled
No

Chemical Information

Trichokaurin

Trichokaurin has been reported in Isodon amethystoides, Isodon oresbius, and Isodon trichocarpus with data available.

CAS Number23811-50-9
PubChem CID12444495
IUPAC Name(7-acetyloxy-9,15-dihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-10-yl) acetate
Molecular FormulaC24H34O7
Molecular Weight434.5
XLogP1.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity851
SMILES
CC(=O)OC1C2C(CCC(C23COC1(C45C3CCC(C4)C(=C)C5OC(=O)C)O)O)(C)C
InChI
InChI=1S/C24H34O7/c1-12-15-6-7-16-22-11-29-24(28,23(16,10-15)19(12)30-13(2)25)20(31-14(3)26)18(22)21(4,5)9-8-17(22)27/h15-20,27-28H,1,6-11H2,2-5H3
InChIKey
GLBRPJYMFLHADY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichokaurin
CAS: 23811-50-9
CID: 12444495
Formula: C24H34O7
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass434.23045342
Monoisotopic Mass434.23045342
Topological Polar Surface Area102 Ų
Heavy Atom Count31
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19180532Trichokaurin

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