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10-Deacetylyunnanxane

CAT: 0804-HY-N9155Size: 1 EachDry Ice: NoHazardous: No
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Description
10-Deacetylyunnanxane is a Diterpenoids product that can be isolated from the roots of Taxus x media.[1].
CAS Number
1333323-17-3
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/10-deacetylyunnanxane.html
Smiles
CC(O[C@@H]1[C@]2([H])[C@H](CC(C)=C([C@H](C[C@]3([C@@]1([H])C([C@H](CC3)OC(C)=O)=C)C)O)C2(C)C)OC([C@H](C)[C@@H](O)C)=O)=O
Molecular Formula
C29H44O8
Molecular Weight
520.65
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(2,5-Diacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-hydroxy-2-methylbutanoate

10-Deacetylyunnanxane has been reported in Taxus with data available.

CAS Number1333323-17-3
PubChem CID78384758
IUPAC Name(2,5-diacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-hydroxy-2-methylbutanoate
Molecular FormulaC29H44O8
Molecular Weight520.7
XLogP2.8
Topological Polar Surface Area119
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity980
SMILES
CC1=C2C(CC3(CCC(C(=C)C3C(C(C2(C)C)C(C1)OC(=O)C(C)C(C)O)OC(=O)C)OC(=O)C)C)O
InChI
InChI=1S/C29H44O8/c1-14-12-22(37-27(34)15(2)17(4)30)25-26(36-19(6)32)24-16(3)21(35-18(5)31)10-11-29(24,9)13-20(33)23(14)28(25,7)8/h15,17,20-22,24-26,30,33H,3,10-13H2,1-2,4-9H3
InChIKey
OKVOKMSHJWDUMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,5-Diacetyloxy-10-hydroxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-hydroxy-2-methylbutanoate
CAS: 1333323-17-3
CID: 78384758
Formula: C29H44O8
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass520.30361836
Monoisotopic Mass520.30361836
Topological Polar Surface Area119 Ų
Heavy Atom Count37
Formal Charge0
Complexity980
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

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Alternative Products

CatalogName
IDC32317-0110-Deacetylyunnanxane
MBS393871Decanol-10,10,10-D3
PC10651310,10,10-Trifluorodecanoic acid
010244-0110,10-Dimethylanthrone
abx188109-0110,10'-Oxybisphenoxarsine
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GTR19240548-01P6P-10,10
sc-49909610,10′-Dihydroxypesudohydromorphone
15883110,10’-Dihydroxypesudohydromorphone
MBS393763-01Decanoic-10,10,10-D3 Acid

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