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Tenacissoside E

CAT: 0804-HY-N13125-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N13125-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tenacissoside E (compound 18) is a polyoxypregnane glycoside[1].
CAS Number
107347-56-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tenacissoside-e.html
Purity
99.39
Smiles
C[C@@]12[C@]3(CC[C@H]2C(C)=O)[C@]4([C@]([C@@]5([C@@](C[C@H](CC5)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O[C@@H]8O[C@@H]([C@H]([C@@H]([C@H]8O)O)O)CO)OC)O)OC)([H])CC4)C)([H])[C@@H]([C@H]1OC(C9=CC=CC=C9)=O)OC(C(C)CC)=O)O3
Molecular Formula
C53H78O19
Molecular Weight
1019.18
References & Citations
[1]Chen J, et al. Identification of polyoxypregnane glycosides from the stems of Marsdenia tenacissima by high-performance liquid chromatography/tandem mass spectrometry[J]. Talanta, 2008, 77 (1) : 152-159.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tenacissoside E
CAS Number107347-56-8
PubChem CID171394271
IUPAC Name[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-14-[(2R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-9-(2-methylbutanoyloxy)-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-8-yl] benzoate
Molecular FormulaC53H78O19
Molecular Weight1019.2
XLogP3.3
Topological Polar Surface Area257
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Heavy Atom Count72
Formal Charge0
Complexity1940
SMILES
CCC(C)C(=O)O[C@H]1[C@@H]2[C@]3(CC[C@@H](C[C@@H]3CC[C@@]24[C@@]5(O4)CC[C@H]([C@]5([C@@H]1OC(=O)C6=CC=CC=C6)C)C(=O)C)O[C@H]7C[C@H]([C@@H]([C@H](O7)C)O[C@H]8[C@@H]([C@@H]([C@@H]([C@H](O8)C)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)OC)O)OC)C
InChI
InChI=1S/C53H78O19/c1-10-25(2)46(60)68-43-44-50(6)19-17-31(22-30(50)16-20-52(44)53(72-52)21-18-32(26(3)55)51(53,7)45(43)71-47(61)29-14-12-11-13-15-29)66-35-23-33(62-8)40(27(4)64-35)69-49-39(59)42(63-9)41(28(5)65-49)70-48-38(58)37(57)36(56)34(24-54)67-48/h11-15,25,27-28,30-45,48-49,54,56-59H,10,16-24H2,1-9H3/t25?,27-,28-,30+,31+,32+,33-,34-,35+,36-,37+,38-,39-,40-,41-,42+,43+,44-,45-,48+,49+,50+,51+,52+,53-/m1/s1
InChIKey
UPJQLJGFZYGNPQ-JXUZIYRVSA-N
Chemical Structure
2D Structure
2D structure of Tenacissoside E
CAS: 107347-56-8
CID: 171394271
Formula: C53H78O19
MW: 1019.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1019.2
XLogP33.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Exact Mass1018.51373025
Monoisotopic Mass1018.51373025
Topological Polar Surface Area257 Ų
Heavy Atom Count72
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N13120-01Tenacissoside A
HY-N2102-01Tenacissoside I
HY-N13123Tenacissoside C
HY-N2545Tenacissoside X
HY-N13124Tenacissoside D
HY-N1167Tenacissoside F
HY-N13122-01Tenacissoside B
HY-N0670-01Tenacissoside H
HY-N2103-01Tenacissoside G
HY-N16577(S) -Tenacissoside F

Alternative Products

CatalogName
TN8089-01Tenacissoside A
TBW00462Tenacissoside F
TN8122-01Tenacissoside D
TN2369Tenacissoside X
T6S1843-01Tenacissoside I
TRC-T018000-100MGTenacissoside H
N2128-20Tenacissoside G
TN8107-01Tenacissoside B
T89257-01Tenacissoside C

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