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Ent-Atisane-3beta,16alpha,17-triol

CAT: 0013-GTR19182501Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182501Size:5 mg
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Description
Ent-Atisane-3beta,16alpha,17-triol (CAS 115783-44-3) is a diterpenoid natural product isolated from Euphorbia species, serving as a reference standard. It is utilized in phytochemical research for the analysis and identification of bioactive compounds from the Euphorbiaceae family.
CAS Number
115783-44-3
Field of Research
Immunology & Inflammation
Smiles
[H][C@]12CC[C@@]3 (CC[C@]4 ([H]) C (C) (C) [C@H] (O) CC[C@@]4 (C) [C@]3 ([H]) C1) C[C@@]2 (O) CO |TLB:24:22:18.20:2.3,23:22:18.20:2.3|
Molecular Formula
C20H34O3
Molecular Weight
322.489
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

13-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol
CAS Number115783-44-3
PubChem CID14037417
IUPAC Name13-(hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP3.4
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity503
SMILES
CC1(C2CCC34CCC(CC3C2(CCC1O)C)C(C4)(CO)O)C
InChI
InChI=1S/C20H34O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3
InChIKey
MGZCTUDLVVCKCA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 13-(Hydroxymethyl)-5,5,9-trimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-6,13-diol
CAS: 115783-44-3
CID: 14037417
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5762324ent-Atisane-3beta,16alpha,17-triol
HY-N3824Ent-Atisane-3β,16α,17-triol
TN3960Ent-Labda-8 (17),13E-diene-3beta,15,18-triol
MBS5762327ent-Labda-8(17),13E-diene-3beta,15,18-triol
MBS5762306ent-16-Kaurene-3beta,15beta,18-triol
TN3937Ent-16alpha,17-Dihydroxyatisan-3-one
MBS5762326ent-kaurane-3,16,17-triol
FFA85522-01Ent-kaurane-3β,16α,17-triol
HY-N3825Ent-Kaurane-3α,16β,17-triol
TBZ260316alpha,17-Dihydroxy-ent-kauran-19-oic acid

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