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Yucalexin P-17

CAT: 0931-TN5271Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5271Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119642-82-9
Target
Others
Related Pathways
Others
Bioactivity
Yucalexin P-17 is a natural product of Elateriospermum, Euphorbiaceae. The catalog number is TN5271 and the CAS number is 119642-82-9. Yucalexin P-17 can be used as a reference standard.
Smiles
CC1(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@](C)(C=C)C=C3CC[C@H]12
Molecular Formula
C20H30O3
Molecular Weight
318.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

yucalexin P-17

yucalexin P-17 has been reported in Manihot esculenta with data available.

CAS Number119642-82-9
PubChem CID44448241
IUPAC Name(2S,4aS,4bR,6S,7R,10aS)-7-ethenyl-2,6-dihydroxy-1,1,4a,7-tetramethyl-2,4,4b,5,6,9,10,10a-octahydrophenanthren-3-one
Molecular FormulaC20H30O3
Molecular Weight318.4
XLogP3.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity575
SMILES
C[C@@]12CC(=O)[C@H](C([C@H]1CCC3=C[C@@]([C@H](C[C@@H]23)O)(C)C=C)(C)C)O
InChI
InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6,10,13,15-17,22-23H,1,7-9,11H2,2-5H3/t13-,15-,16+,17-,19-,20+/m1/s1
InChIKey
OKNGHMJLXXXEEZ-UMYDBDEDSA-N
Chemical Structure
2D Structure
2D structure of yucalexin P-17
CAS: 119642-82-9
CID: 44448241
Formula: C20H30O3
MW: 318.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass318.21949481
Monoisotopic Mass318.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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