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Tenacissoside I

CAT: 0804-HY-N2102-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2102-01Size:5 mg
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Description
Tenacissoside I is a C21 steroid from the Marsdenia tenacissima, which is detected at relatively high level in M. tenacissima[1][2].
CAS Number
191729-44-9
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/tenacissoside-i.html
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@@]([C@@H]([C@@H](OC(C1=CC=CC=C1)=O)[C@]2([H])[C@]34C)OC(C)=O)([C@@H]5C(C)=O)[C@]6(CC5)[C@@]2(CC[C@@]3([H])C[C@@H](O[C@@](O[C@H](C)[C@H]7O[C@@](O[C@H](C)[C@@H](O)[C@H]8OC)([H])[C@@H]8O)([H])C[C@H]7OC)CC4)O6
Molecular Formula
C44H62O14
Molecular Weight
814.95
References & Citations
[1]Zhao C, et al, Metabolic profiling of tenacigenin B, tenacissoside H and tenacissoside I using UHPLC-ESI-Orbitrap MS/MS. Biomed Chromatogr. 2016 Nov;30 (11) :1757-1765.|[2]Wang W, et al. Simultaneous quantification of two steroidal glycosides after oral gavage of Marsdenia tenacissima extract in rats using a LC-MS/MS method. Biomed Chromatogr. 2015 Apr;29 (4) :633-40.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Tenacissoside I

Tenacissoside I has been reported in Marsdenia tenacissima with data available.

CAS Number191729-44-9
PubChem CID91973812
IUPAC Name[(1S,3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-acetyl-8-acetyloxy-14-[(2R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-9-yl] benzoate
Molecular FormulaC44H62O14
Molecular Weight815.0
XLogP3.5
Topological Polar Surface Area178
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Heavy Atom Count58
Formal Charge0
Complexity1550
SMILES
C[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@H]2OC)O[C@H]3CC[C@]4([C@H](C3)CC[C@]56[C@@H]4[C@@H]([C@H]([C@]7([C@]5(O6)CC[C@H]7C(=O)C)C)OC(=O)C)OC(=O)C8=CC=CC=C8)C)C)O)OC)O
InChI
InChI=1S/C44H62O14/c1-22(45)29-16-19-44-42(29,6)38(54-25(4)46)36(56-39(49)26-12-10-9-11-13-26)37-41(5)17-15-28(20-27(41)14-18-43(37,44)58-44)55-31-21-30(50-7)34(24(3)52-31)57-40-33(48)35(51-8)32(47)23(2)53-40/h9-13,23-24,27-38,40,47-48H,14-21H2,1-8H3/t23-,24-,27+,28+,29+,30-,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42+,43+,44-/m1/s1
InChIKey
HXIHLBDNTFYMIC-ROIFRVDESA-N
Chemical Structure
2D Structure
2D structure of Tenacissoside I
CAS: 191729-44-9
CID: 91973812
Formula: C44H62O14
MW: 815.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight815.0
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count12
Exact Mass814.41395665
Monoisotopic Mass814.41395665
Topological Polar Surface Area178 Ų
Heavy Atom Count58
Formal Charge0
Complexity1550
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N13120-01Tenacissoside A
HY-N13123Tenacissoside C
HY-N2545Tenacissoside X
HY-N13125-01Tenacissoside E
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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